| SpectraBase Spectrum ID |
8KDWI4B4lwp |
| Name |
Carbonic acid, isobutyl 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.079372518 u |
| Formula |
C11H13NO5 |
| InChI |
InChI=1S/C11H13NO5/c1-8(2)7-16-11(13)17-10-5-3-9(4-6-10)12(14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey |
WLRSOECSWRWZTI-UHFFFAOYSA-N |
| Molecular Weight |
239.227 g/mol |
| SMILES |
CC(COC(=O)OC1=CC=C(C=C1)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882558 |
