| SpectraBase Spectrum ID |
7AhdaWqJvrU |
| Name |
Glutaric acid, 2-(adamant-1-yl)ethyl 2-methylpent-3-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/c1-4-20(16(2)3)27-22(25)7-5-6-21(24)26-9-8-23-13-17-10-18(14-23)12-19(11-17)15-23/h16-20H,4-15H2,1-3H3/t17-,18+,19-,20?,23+ |
| InChIKey |
FLXQYXVJFKUCED-BKZYFARWSA-N |
| Molecular Weight |
378.553 g/mol |
| SMILES |
C(CCC(OC(CC)C(C)C)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813536 |
