| SpectraBase Spectrum ID |
1uPIDws48QO |
| Name |
(1R,2R,9S)-2,5,5,9-Tetramethyl-1-[3',4'-dihydroxybutyl]-2-hydroxy-(perhydro)-naphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.250794952 u |
| Formula |
C18H34O3 |
| InChI |
InChI=1S/C18H34O3/c1-16(2)9-5-10-17(3)14(16)8-11-18(4,21)15(17)7-6-13(20)12-19/h13-15,19-21H,5-12H2,1-4H3/t13?,14?,15-,17+,18-/m1/s1 |
| InChIKey |
AQEGTBDZHXTYFY-IBQAVYJKSA-N |
| SMILES |
[C@@]12(C(C(C)(C)CCC2)CC[C@]([C@@]1(CCC(O)CO)[H])(O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929513 |
![(1R,2R,9S)-2,5,5,9-Tetramethyl-1-[3',4'-dihydroxybutyl]-2-hydroxy-(perhydro)-naphthalene](/api/spectrum/1uPIDws48QO/structure.png?h=300&w=458 "(1R,2R,9S)-2,5,5,9-Tetramethyl-1-[3',4'-dihydroxybutyl]-2-hydroxy-(perhydro)-naphthalene")
