| SpectraBase Spectrum ID |
dZFe0QYASP |
| Name |
1,2-Cyclopropanediacetonitrile, 1,2-diphenyl-, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.131348523 u |
| Formula |
C19H16N2 |
| InChI |
InChI=1S/C19H16N2/c20-13-11-18(16-7-3-1-4-8-16)15-19(18,12-14-21)17-9-5-2-6-10-17/h1-10H,11-12,15H2/t18-,19-/m1/s1 |
| InChIKey |
DDXMHNMGSJCEOF-RTBURBONSA-N |
| Molecular Weight |
272.351 g/mol |
| SMILES |
[C@@]1([C@](C2=CC=CC=C2)(CC#N)C1)(C=1C=CC=CC1)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9763 |
