SpectraBase Spectrum ID |
LCuhYm8CTVc |
Name |
Succinic acid, 2-(adamant-1-yl)ethyl hept-2-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
378.277009700 u |
Formula |
C23H38O4 |
InChI |
InChI=1S/C23H38O4/c1-3-4-5-6-17(2)27-22(25)8-7-21(24)26-10-9-23-14-18-11-19(15-23)13-20(12-18)16-23/h17-20H,3-16H2,1-2H3/t17?,18-,19+,20-,23+ |
InChIKey |
UUXNBSWYDRYVOU-LRMPIAEYSA-N |
Molecular Weight |
378.553 g/mol |
SMILES |
C(CC(OC(C)CCCCC)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899071 |