| SpectraBase Spectrum ID |
GvRLGBLvd6C |
| Name |
(3S,4R)-3-Isopropyl-8-methoxy-4-(nitromethyl)chroman-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.126322711 u |
| Formula |
C14H19NO5 |
| InChI |
InChI=1S/C14H19NO5/c1-8(2)12-10(7-15(17)18)9-5-4-6-11(19-3)13(9)20-14(12)16/h4-6,8,10,12,14,16H,7H2,1-3H3/t10-,12-,14?/m0/s1 |
| InChIKey |
FLAPAXORAPMZKI-RJXBTYEGSA-N |
| SMILES |
C1(OC=2C(=CC=CC2[C@](C[N+](=O)[O-])([C@@]1(C(C)C)[H])[H])OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924191 |
