| SpectraBase Spectrum ID |
luSEUtZwmW |
| Name |
Succinic acid, hept-2-yl (2-methylcyclohex-1-en-1-yl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-4-5-6-10-16(3)23-19(21)13-12-18(20)22-14-17-11-8-7-9-15(17)2/h16H,4-14H2,1-3H3 |
| InChIKey |
SCAYWPZKXOXFEK-UHFFFAOYSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C(CC(OC(C)CCCCC)=O)C(OCC1=C(C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985419 |
