| SpectraBase Spectrum ID |
52QJ1bX45cY |
| Name |
1-Naphthalenecarboxylic acid, 8-(acetyloxy)decahydro-1,4A-dimethyl-6-methylene-5-(3-methyl-2,4-pent adienyl)-, methyl ester, [1S-[1.alpha.,4A.alpha.,5.alpha.(Z),8.beta.,8A.beta.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.245709571 u |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-8-15(2)10-11-18-16(3)14-19(27-17(4)24)20-22(18,5)12-9-13-23(20,6)21(25)26-7/h8,10,18-20H,1,3,9,11-14H2,2,4-7H3/b15-10-/t18-,19-,20+,22+,23-/m0/s1 |
| InChIKey |
JMENQAVVDLRQNF-AJRLNIDISA-N |
| Molecular Weight |
374.521 g/mol |
| SMILES |
[C@@]12([C@]([C@](C(=O)OC)(C)CCC2)([C@@](OC(=O)C)(CC([C@@]1(C\C=C/(C=C)C)[H])=C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931983 |
![1-Naphthalenecarboxylic acid, 8-(acetyloxy)decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pent adienyl)-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(Z),8.beta.,8a.beta.]]-](/api/spectrum/52QJ1bX45cY/structure.png?h=300&w=458 "1-Naphthalenecarboxylic acid, 8-(acetyloxy)decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pent adienyl)-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(Z),8.beta.,8a.beta.]]-")
