| SpectraBase Spectrum ID |
LA3aNIFT5s1 |
| Name |
(3S,4R)-8-Methyl-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.136493473 u |
| Formula |
C15H19NO3 |
| InChI |
InChI=1S/C15H19NO3/c1-10(2)7-12-9-19-15-11(3)5-4-6-13(15)14(12)8-16(17)18/h4-7,12,14H,8-9H2,1-3H3/t12-,14-/m1/s1 |
| InChIKey |
NKAUGLMJGLKJAW-TZMCWYRMSA-N |
| Molecular Weight |
261.321 g/mol |
| SMILES |
C1[C@]([C@](C=2C=CC=C(C2O1)C)(C[N+](=O)[O-])[H])(C=C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937624 |
