| SpectraBase Spectrum ID |
CzpEJQeKD4x |
| Name |
1-Naphthaleneacetic acid, 2-(acetyloxy)decahydro-6-hydroxy-2,5,5,8A-tetramethyl-, methyl ester, [1R-(1.alpha.,2.beta.,4A.beta.,6.beta.,8A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.224974125 u |
| Formula |
C19H32O5 |
| InChI |
InChI=1S/C19H32O5/c1-12(20)24-19(5)10-7-13-17(2,3)15(21)8-9-18(13,4)14(19)11-16(22)23-6/h13-15,21H,7-11H2,1-6H3/t13-,14+,15+,18-,19-/m0/s1 |
| InChIKey |
NJDMJEZWTMJXFZ-KPHNSTPASA-N |
| Molecular Weight |
340.460 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)[C@@](CC2)(O)[H])(CC[C@@]([C@@]1(CC(=O)OC)[H])(OC(=O)C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943132 |
![1-Naphthaleneacetic acid, 2-(acetyloxy)decahydro-6-hydroxy-2,5,5,8a-tetramethyl-, methyl ester, [1R-(1.alpha.,2.beta.,4a.beta.,6.beta.,8a.alpha.)]-](/api/spectrum/CzpEJQeKD4x/structure.png?h=300&w=458 "1-Naphthaleneacetic acid, 2-(acetyloxy)decahydro-6-hydroxy-2,5,5,8a-tetramethyl-, methyl ester, [1R-(1.alpha.,2.beta.,4a.beta.,6.beta.,8a.alpha.)]-")
