| SpectraBase Spectrum ID |
CKIWAXMR2w3 |
| Name |
7-Acetoxy-9-formyl-1,5,5,9-tetramethyl-10-[2-(3-hydroxy-4-methylbenzoyl)ethyl]bicyclo[4,4,0]decane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.271924319 u |
| Formula |
C27H38O5 |
| InChI |
InChI=1S/C27H38O5/c1-17-8-9-19(14-21(17)31)20(30)10-11-23-26(5,16-28)15-22(32-18(2)29)24-25(3,4)12-7-13-27(23,24)6/h8-9,14,16,22-24,31H,7,10-13,15H2,1-6H3 |
| InChIKey |
JXMWXFSVMMJDHJ-UHFFFAOYSA-N |
| Molecular Weight |
442.596 g/mol |
| SMILES |
C12(C(C(OC(=O)C)CC(C2CCC(C=2C=C(O)C(=CC2)C)=O)(C=O)C)C(C)(C)CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878887 |
![7-Acetoxy-9-formyl-1,5,5,9-tetramethyl-10-[2-(3-hydroxy-4-methylbenzoyl)ethyl]bicyclo[4,4,0]decane](/api/spectrum/CKIWAXMR2w3/structure.png?h=300&w=458 "7-Acetoxy-9-formyl-1,5,5,9-tetramethyl-10-[2-(3-hydroxy-4-methylbenzoyl)ethyl]bicyclo[4,4,0]decane")
