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(S)-(-)-1-Phenylethyl isocyanate

View entire compound with spectra: 2 NMR, 5 FTIR, and 2 Raman

(S)-(-)-1-Phenylethyl isocyanate
SpectraBase Compound ID BAIBS5yKTqj
InChI InChI=1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1
InChIKey JJSCUXAFAJEQGB-QMMMGPOBSA-N
Mol Weight 147.18 g/mol
Molecular Formula C9H9NO
Exact Mass 147.068414 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7tAPUqpmK7i
Name (S)-(-)-alpha-Methylbenzyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 220566
CAS Registry Number 14649-03-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO
InChI InChI=1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1
InChIKey JJSCUXAFAJEQGB-QMMMGPOBSA-N
Molecular Weight 147.180 g/mol
Purity 99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (S)-(-)-1-Phenylethyl isocyanate
Wiley ID SIAL_VP-FTIR_001766