| SpectraBase Spectrum ID |
1ZijZ0SGLTI |
| Name |
Glutaric acid, 3-methylbut-2-en-1-yl 3-ethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.167459249 u |
| Formula |
C18H24O4 |
| InChI |
InChI=1S/C18H24O4/c1-4-15-7-5-8-16(13-15)22-18(20)10-6-9-17(19)21-12-11-14(2)3/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3 |
| InChIKey |
TWQKWFQSSGZARQ-UHFFFAOYSA-N |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OC1=CC=CC(CC)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932996 |
