| SpectraBase Spectrum ID |
7s9ZRJBMupg |
| Name |
Succinic acid, cycloheptyl hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.370910086 u |
| Formula |
C27H50O4 |
| InChI |
InChI=1S/C27H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-24-30-26(28)22-23-27(29)31-25-20-17-14-15-18-21-25/h25H,2-24H2,1H3 |
| InChIKey |
BNPPOTSRNCNUIO-UHFFFAOYSA-N |
| Molecular Weight |
438.693 g/mol |
| SMILES |
C(CCCCCCCOC(CCC(OC1CCCCCC1)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880431 |
