| SpectraBase Spectrum ID |
52HBRS2rkF7 |
| Name |
1-Naphthalenepentanoic acid, 3,4,4A,5,6,7,8,8A-octahydro-.beta.,2,5,5,8A-pentamethyl-3-oxo-, (8as)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.235144887 u |
| Formula |
C20H32O3 |
| InChI |
InChI=1S/C20H32O3/c1-13(11-18(22)23)7-8-15-14(2)16(21)12-17-19(3,4)9-6-10-20(15,17)5/h13,17H,6-12H2,1-5H3,(H,22,23)/t13?,17?,20-/m1/s1 |
| InChIKey |
BARZJLALPXZLMN-RJGDCVCESA-N |
| Molecular Weight |
320.473 g/mol |
| SMILES |
C1CC(C2CC(C(=C([C@]2(C1)C)CCC(CC(=O)O)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862166 |
