| SpectraBase Spectrum ID |
7I0UK44O0Cn |
| Name |
(1S,4ar,4bs,7R,10Ar)-1,4A,7-trimethyl-7-vinyl-3,4,4B,5,6,9,10,10A-octahydro-2H-phenanthrene-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20-/m0/s1 |
| InChIKey |
MHVJRKBZMUDEEV-ZRSLWSEBSA-N |
| SMILES |
[C@@]12([C@]([C@](C(=O)O)(C)CCC2)(CCC=2[C@@]1(CC[C@@](C=C)(C)C2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978119 |
