| SpectraBase Spectrum ID |
KSwEoC4OwiP |
| Name |
1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8A-dimethyl-2-oxo-, ethyl ester, [1R-(1.alpha.,4A.beta.,5.alpha.,8A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.193673997 u |
| Formula |
C18H28O5 |
| InChI |
InChI=1S/C18H28O5/c1-5-23-15(20)11-12-13(19)7-8-14-17(12,2)9-6-10-18(14,3)16(21)22-4/h12,14H,5-11H2,1-4H3/t12-,14+,17+,18+/m0/s1 |
| InChIKey |
PYPMPOSWSOFSRL-WPPQDWHVSA-N |
| Molecular Weight |
324.417 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CC(=O)OCC)[H])=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985947 |
![1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-oxo-, ethyl ester, [1R-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-](/api/spectrum/KSwEoC4OwiP/structure.png?h=300&w=458 "1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-oxo-, ethyl ester, [1R-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-")
