| SpectraBase Spectrum ID |
2oHi9goqit9 |
| Name |
1-Naphthalenepentanoic acid, 3,4,4A,5,6,7,8,8A-octahydro-.beta.,2,5,5,8A-pentamethyl-3-oxo-, (8as)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-14(12-19(23)24-6)8-9-16-15(2)17(22)13-18-20(3,4)10-7-11-21(16,18)5/h14,18H,7-13H2,1-6H3/t14?,18?,21-/m1/s1 |
| InChIKey |
FZYQQUFRUMLHHQ-JCPMGCNXSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
C1CC(C2CC(C(=C([C@]2(C1)C)CCC(CC(=O)OC)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91246 |
