| SpectraBase Spectrum ID |
uduubYdztK |
| Name |
Glutaric acid, ethyl 2-tert-butyl-6-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-6-21-15(19)11-8-12-16(20)22-17-13(2)9-7-10-14(17)18(3,4)5/h7,9-10H,6,8,11-12H2,1-5H3 |
| InChIKey |
PNEWTNPEOHPNAW-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
CC1=C(OC(=O)CCCC(OCC)=O)C(C(C)(C)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843428 |
