| SpectraBase Spectrum ID |
BhfsQmCEkVj |
| Name |
Carbonic acid, butyl 4-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.104858991 u |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-3-4-9-15-12(13)16-11-7-5-10(14-2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
PMCJWQJCEHBUEP-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C(C)CCOC(=O)OC1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839725 |
