| SpectraBase Spectrum ID |
9CB9DfJouxN |
| Name |
(1S,2R)-1-(N-(Diphenylmethylene)amino)-2-formylcyclopropanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.110613078 u |
| Formula |
C18H14N2O |
| InChI |
InChI=1S/C18H14N2O/c19-13-18(11-16(18)12-21)20-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12,16H,11H2/t16-,18+/m0/s1 |
| InChIKey |
ISQMZXDZYZUQNM-FUHWJXTLSA-N |
| SMILES |
[C@]1([C@@](C1)(C=O)[H])(C#N)N=C(C=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961155 |
