SpectraBase Spectrum ID |
JWVLet6suWt |
Name |
(S)-(-)-N-butyl-1-phenylethyl carbamate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
221.141578854 u |
Formula |
C13H19NO2 |
InChI |
InChI=1S/C13H19NO2/c1-3-4-10-14-13(15)16-11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)/t11-/m0/s1 |
InChIKey |
MIVBNWSBDOEEQT-NSHDSACASA-N |
Molecular Weight |
221.300 g/mol |
SMILES |
C(O[C@](C1=CC=CC=C1)(C)[H])(=O)NCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845774 |