| SpectraBase Spectrum ID |
HnrqG64MWy2 |
| Name |
5-[(1S,2R,4ar)-5-(Hydroxymethyl)-1,2,4A-trimethyl-2,3,4,7,8,8A-hexahydronaphthalen-1-yl]-3-methylpentanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.250794952 u |
| Formula |
C20H34O3 |
| InChI |
InChI=1S/C20H34O3/c1-14(12-18(22)23)8-10-19(3)15(2)9-11-20(4)16(13-21)6-5-7-17(19)20/h6,14-15,17,21H,5,7-13H2,1-4H3,(H,22,23)/t14-,15+,17+,19-,20-/m0/s1 |
| InChIKey |
FVXAJZRADGVLQM-KXOXPVICSA-N |
| Molecular Weight |
322.489 g/mol |
| SMILES |
C1C=C([C@@]2(CC[C@]([C@@]([C@]2(C1)[H])(CC[C@@](CC(O)=O)(C)[H])C)(C)[H])C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978588 |
![5-[(1S,2R,4ar)-5-(Hydroxymethyl)-1,2,4A-trimethyl-2,3,4,7,8,8A-hexahydronaphthalen-1-yl]-3-methylpentanoic acid](/api/spectrum/HnrqG64MWy2/structure.png?h=300&w=458 "5-[(1S,2R,4ar)-5-(Hydroxymethyl)-1,2,4A-trimethyl-2,3,4,7,8,8A-hexahydronaphthalen-1-yl]-3-methylpentanoic acid")
