| SpectraBase Spectrum ID |
HsJ0JN3dcMS |
| Name |
1,8-Naphthalenediol, 1,2,3,5,6,7,8,8A-octahydro-2,5,8A-trimethyl-, (1.alpha.,2.beta.,5.beta.,8.alpha.,8A.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.161979946 u |
| Formula |
C13H22O2 |
| InChI |
InChI=1S/C13H22O2/c1-8-5-7-11(14)13(3)10(8)6-4-9(2)12(13)15/h6,8-9,11-12,14-15H,4-5,7H2,1-3H3/t8-,9-,11-,12+,13-/m0/s1 |
| InChIKey |
WQIOYBPYPFWQHT-MNSQCTGESA-N |
| Molecular Weight |
210.317 g/mol |
| SMILES |
[C@@]12(C(=CC[C@@]([C@]2(O)[H])(C)[H])[C@@](C)(CC[C@@]1(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913361 |
