| SpectraBase Spectrum ID |
DvtERtsVwY4 |
| Name |
(1S,2R,3E,7E,11E)-2,17-Diacetoxycembra-3,7,11,15-tetraene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.261359635 u |
| Formula |
C24H36O4 |
| InChI |
InChI=1S/C24H36O4/c1-17-9-7-11-18(2)13-14-23(20(4)16-27-21(5)25)24(28-22(6)26)15-19(3)12-8-10-17/h10-11,15,23-24H,4,7-9,12-14,16H2,1-3,5-6H3/b17-10+,18-11+,19-15+ |
| InChIKey |
YBPOQSGQBJVMKO-BBCCYVLPSA-N |
| Molecular Weight |
388.548 g/mol |
| SMILES |
C1(\C=C\(CC\C=C\(CC\C=C\(CCC1C(=C)COC(C)=O)C)C)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979107 |
