| SpectraBase Spectrum ID |
FgRAR6IH8QK |
| Name |
1-[(3as,4R,6as)-4-Methyl-6A-methylol-2,3,3A,4,5,6-hexahydro-1H-pentalen-1-yl]propan-1-one |
| 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/c1-3-12(15)11-5-4-10-9(2)6-7-13(10,11)8-14/h9-11,14H,3-8H2,1-2H3/t9-,10+,11?,13+/m1/s1 |
| InChIKey |
CDPNJDZTWREFLG-ZKWYHIHTSA-N |
| Molecular Weight |
210.317 g/mol |
| SMILES |
[C@]12(C(CC[C@]2([C@](C)(CC1)[H])[H])C(=O)CC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823161 |
![1-[(3aS,4R,6aS)-4-methyl-6a-methylol-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]propan-1-one](/api/spectrum/FgRAR6IH8QK/structure.png?h=300&w=458 "1-[(3aS,4R,6aS)-4-methyl-6a-methylol-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]propan-1-one")
