SpectraBase Spectrum ID |
7OyCZbAGVkE |
Name |
(3S,4S,5S)-3-Methyl-5-nitro-4-phenylcyclohex-1-enyl-methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.120843408 u |
Formula |
C14H17NO3 |
InChI |
InChI=1S/C14H17NO3/c1-10-7-11(9-16)8-13(15(17)18)14(10)12-5-3-2-4-6-12/h2-7,10,13-14,16H,8-9H2,1H3/t10-,13-,14-/m0/s1 |
InChIKey |
HXWYNKAJVPAHML-BPNCWPANSA-N |
Molecular Weight |
247.294 g/mol |
SMILES |
C1(=C[C@@]([C@]([C@](C1)([N+](=O)[O-])[H])(C=1C=CC=CC1)[H])(C)[H])CO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895714 |