| SpectraBase Spectrum ID |
KN6oo747XIG |
| Name |
1-Naphthalenecarboxylic acid, decahydro-1,4A-dimethyl-6-methylene-5-(3-methyl-5-oxohexyl)-, methyl ester, [1S-[1.alpha.,4A.alpha.,5.alpha.(R*),8A.alpha.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.266445016 u |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-15(14-17(3)23)8-10-18-16(2)9-11-19-21(18,4)12-7-13-22(19,5)20(24)25-6/h15,18-19H,2,7-14H2,1,3-6H3 |
| InChIKey |
BXFIQIHHUYQVJG-UHFFFAOYSA-N |
| Molecular Weight |
348.527 g/mol |
| SMILES |
C12(C)C(C(C(OC)=O)(C)CCC2)CCC(C1CCC(CC(C)=O)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896555 |
![1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-5-oxohexyl)-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(R*),8a.alpha.]]-](/api/spectrum/KN6oo747XIG/structure.png?h=300&w=458 "1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-5-oxohexyl)-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(R*),8a.alpha.]]-")
