| SpectraBase Spectrum ID |
B5GkjxWnl5t |
| Name |
(2R,3S)-2-Benzoxy-3-methyl-pent-4-enenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
201.115364106 u |
| Formula |
C13H15NO |
| InChI |
InChI=1S/C13H15NO/c1-3-11(2)13(9-14)15-10-12-7-5-4-6-8-12/h3-8,11,13H,1,10H2,2H3/t11-,13-/m0/s1 |
| InChIKey |
SMNIXXFEJMUZSR-AAEUAGOBSA-N |
| Molecular Weight |
201.269 g/mol |
| SMILES |
C(#N)[C@](OCC=1C=CC=CC1)([C@](C=C)(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865057 |
