| SpectraBase Spectrum ID |
G0wgz0vsvTn |
| Name |
(3S,4S,5S)-3-Methyl-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 |
245.105193344 u |
| Formula |
C14H15NO3 |
| InChI |
InChI=1S/C14H15NO3/c1-10-7-11(9-16)8-13(15(17)18)14(10)12-5-3-2-4-6-12/h2-7,9-10,13-14H,8H2,1H3/t10-,13-,14-/m0/s1 |
| InChIKey |
SYTAUCJRFNVMIA-BPNCWPANSA-N |
| Molecular Weight |
245.278 g/mol |
| SMILES |
C1(=C[C@@]([C@]([C@](C1)([N+](=O)[O-])[H])(C=1C=CC=CC1)[H])(C)[H])C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860122 |
