| SpectraBase Spectrum ID |
KmydGt3IA9S |
| Name |
Acetate, 3-(acetyloxy)-2-nitro-2-benzylpropyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.105587265 u |
| Formula |
C14H17NO6 |
| InChI |
InChI=1S/C14H17NO6/c1-11(16)20-9-14(15(18)19,10-21-12(2)17)8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3 |
| InChIKey |
CDPCICKHIWMGLY-UHFFFAOYSA-N |
| Molecular Weight |
295.291 g/mol |
| SMILES |
C(N(=O)=O)(CC1=CC=CC=C1)(COC(=O)C)COC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952658 |
