| SpectraBase Spectrum ID |
CtP6JBdMA8D |
| Name |
Succinic acid, 2-(1-adamantyl)ethyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-2-3-4-5-9-25-20(23)6-7-21(24)26-10-8-22-14-17-11-18(15-22)13-19(12-17)16-22/h17-19H,2-16H2,1H3/t17-,18+,19-,22+ |
| InChIKey |
HKRVOSXYIKDHAM-NTAIKFDKSA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
C(OC(CCC(OCCCCCC)=O)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826897 |
