[(1S)-1-Isocyanoethyl]Benzene
[CAS# 21872-32-2]

Identification

• Name: [(1S)-1-Isocyanoethyl]Benzene
• Synonyms: (S)-(-)-¦Á-methylbenzyl isocyanide; (S)-(-)-α-Methylbenzyl isocyanide; (S)-(−)-α-Methylbenzyl isocyanide
• Molecular Formula: C₉H₉N
• Molecular Weight: 131.17
• CAS Registry Number: 21872-32-2
• SMILES: [C-]#[N+][C@H](c1ccccc1)C
• InChI: 1S/C9H9N/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1H3/t8-/m0/s1
• InChIKey: KCCAPMXVCPVFEH-QMMMGPOBSA-N

Properties

• Refractive index: (Cal.)

References

• (1): Christian Merten, Marc Amkreutz and Andreas Hartwig. Determining the structure of α-phenylethyl isocyanide in chloroform by VCD spectroscopy and DFT calculations—simple case or challenge?, Phys. Chem. Chem. Phys., 2010, 12, 11635.