| SpectraBase Spectrum ID |
HAVRQzlQC11 |
| Name |
(1R,2S,5S)-2,4-Dimethyl-5-(3-methylbut-2-enyl)cyclohex-3-enecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.167399680 u |
| Formula |
C14H21N |
| InChI |
InChI=1S/C14H21N/c1-10(2)5-6-13-8-14(9-15)12(4)7-11(13)3/h5,7,12-14H,6,8H2,1-4H3/t12-,13-,14-/m0/s1 |
| InChIKey |
FTAAHYVGEZGFEF-IHRRRGAJSA-N |
| Molecular Weight |
203.329 g/mol |
| SMILES |
C1=C([C@](C[C@]([C@]1(C)[H])(C#N)[H])(CC=C(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858207 |
