| SpectraBase Spectrum ID |
99O8Uen9CX7 |
| Name |
Succinic acid, 3-methylphenyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.339609957 u |
| Formula |
C28H46O4 |
| InChI |
InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-27(29)21-22-28(30)32-26-20-18-19-25(2)24-26/h18-20,24H,3-17,21-23H2,1-2H3 |
| InChIKey |
PCRHTWBDGQAHMJ-UHFFFAOYSA-N |
| Molecular Weight |
446.672 g/mol |
| SMILES |
C(CCCCCCCOC(CCC(OC=1C=CC=C(C)C1)=O)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824193 |
