| SpectraBase Spectrum ID |
AIpVWBpAVwS |
| Name |
Diethylmalonic acid, 2-ethylphenyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.402210215 u |
| Formula |
C32H54O4 |
| InChI |
InChI=1S/C32H54O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-35-30(33)32(7-3,8-4)31(34)36-29-26-23-22-25-28(29)6-2/h22-23,25-26H,5-21,24,27H2,1-4H3 |
| InChIKey |
QARYUTKMTGAVGM-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88262 |
