| SpectraBase Spectrum ID |
9CQwqakw6hH |
| Name |
Succinic acid, 3-heptyl hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.386560150 u |
| Formula |
C27H52O4 |
| InChI |
InChI=1S/C27H52O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-23-27(29)31-25(6-3)21-8-5-2/h25H,4-24H2,1-3H3 |
| InChIKey |
FFDADEAHCOQJAV-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
C(C(OC(CC)CCCC)=O)CC(OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891888 |
