| SpectraBase Spectrum ID |
70w48k2vLtf |
| Name |
5(3H)-Isobenzofuranone, 7-ethylidenehexahydro-1-hydroxy-6-(1,3,3-trimethylcyclohexyl)-, [1S-[1.alpha.,3A.alpha.,6.beta.(R*),7E,7A.alp ha.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-5-13-15-12(10-22-17(15)21)9-14(20)16(13)19(4)8-6-7-18(2,3)11-19/h5,12,15-17,21H,6-11H2,1-4H3/b13-5-/t12-,15+,16+,17-,19?/m1/s1 |
| InChIKey |
RPHDRFPSWHBWIN-OMDSSDSISA-N |
| SMILES |
[C@@]1(\C([C@@]2([C@](CC1=O)(CO[C@]2(O)[H])[H])[H])=C/C)(C1(CC(C)(C)CCC1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831187 |
![5(3H)-Isobenzofuranone, 7-ethylidenehexahydro-1-hydroxy-6-(1,3,3-trimethylcyclohexyl)-, [1S-[1.alpha.,3a.alpha.,6.beta.(R*),7E,7a.alp ha.]]-](/api/spectrum/70w48k2vLtf/structure.png?h=300&w=458 "5(3H)-Isobenzofuranone, 7-ethylidenehexahydro-1-hydroxy-6-(1,3,3-trimethylcyclohexyl)-, [1S-[1.alpha.,3a.alpha.,6.beta.(R*),7E,7a.alp ha.]]-")
