SpectraBase Spectrum ID |
G25TxPAuLzr |
Name |
Carbonic acid, ethyl 4-isopropylphenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
208.109944372 u |
Formula |
C12H16O3 |
InChI |
InChI=1S/C12H16O3/c1-4-14-12(13)15-11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3 |
InChIKey |
CFIKZRMJFYBVIW-UHFFFAOYSA-N |
Molecular Weight |
208.257 g/mol |
SMILES |
C(OC1=CC=C(C(C)C)C=C1)(OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898283 |