| SpectraBase Spectrum ID |
Gw4Zoe2n8V3 |
| Name |
2(1H)-Naphthalenone, 6-(acetyloxy)octahydro-5,5,8A-trimethyl-1-(3-oxobutyl)-, [1R-(1.alpha.,4A.beta.,6.alpha.,8A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.214409442 u |
| Formula |
C19H30O4 |
| InChI |
InChI=1S/C19H30O4/c1-12(20)6-7-14-15(22)8-9-16-18(3,4)17(23-13(2)21)10-11-19(14,16)5/h14,16-17H,6-11H2,1-5H3/t14-,16-,17-,19+/m1/s1 |
| InChIKey |
SSKIJPUYVRBNIK-MYZZLAAOSA-N |
| Molecular Weight |
322.445 g/mol |
| SMILES |
[C@]12([C@@](C(C)(C)[C@@](CC2)(OC(=O)C)[H])(CCC([C@]1(CCC(=O)C)[H])=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970733 |
![2(1H)-Naphthalenone, 6-(acetyloxy)octahydro-5,5,8a-trimethyl-1-(3-oxobutyl)-, [1R-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-](/api/spectrum/Gw4Zoe2n8V3/structure.png?h=300&w=458 "2(1H)-Naphthalenone, 6-(acetyloxy)octahydro-5,5,8a-trimethyl-1-(3-oxobutyl)-, [1R-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-")
