| SpectraBase Spectrum ID |
9Tyv8vkMI1k |
| Name |
Carbonic acid, neopentyl 4-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.120509056 u |
| Formula |
C13H18O4 |
| InChI |
InChI=1S/C13H18O4/c1-13(2,3)9-16-12(14)17-11-7-5-10(15-4)6-8-11/h5-8H,9H2,1-4H3 |
| InChIKey |
SFIMQWQPJSPVFB-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| SMILES |
CC(COC(=O)OC1=CC=C(OC)C=C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935227 |
