| SpectraBase Spectrum ID |
6o2dMz4qLQo |
| Name |
(3S,4S,5S)-3-Isopropyl-5-nitro-4-phenylcyclohex-1-ene-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.136493473 u |
| Formula |
C16H19NO3 |
| InChI |
InChI=1S/C16H19NO3/c1-11(2)14-8-12(10-18)9-15(17(19)20)16(14)13-6-4-3-5-7-13/h3-8,10-11,14-16H,9H2,1-2H3/t14-,15+,16-/m1/s1 |
| InChIKey |
ZTJSMIOVATYRRD-OWCLPIDISA-N |
| SMILES |
C1(=C[C@@]([C@]([C@](C1)([N+](=O)[O-])[H])(C=1C=CC=CC1)[H])(C(C)C)[H])C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809635 |
