| SpectraBase Spectrum ID |
A9Y1PXRHncC |
| Name |
2(1H)-Azecinone, octahydro-7-nitro-1-(phenylmethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.163042573 u |
| Formula |
C16H22N2O3 |
| InChI |
InChI=1S/C16H22N2O3/c19-16-11-5-4-9-15(18(20)21)10-6-12-17(16)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2 |
| InChIKey |
HNWAQWMYNBQICO-UHFFFAOYSA-N |
| SMILES |
C1(N(=O)=O)CCCN(CC2=CC=CC=C2)C(CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839727 |
