| SpectraBase Spectrum ID |
37MTqqaOnUI |
| Name |
Benzene-1,4-diol, mono[.beta.-methyl-2-butenoate] ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.078644243 u |
| Formula |
C11H12O3 |
| InChI |
InChI=1S/C11H12O3/c1-8(2)7-11(13)14-10-5-3-9(12)4-6-10/h3-7,12H,1-2H3 |
| InChIKey |
ZGNNIGBMVHIPFF-UHFFFAOYSA-N |
| Molecular Weight |
192.214 g/mol |
| SMILES |
C1(OC(C=C(C)C)=O)=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87152 |