| SpectraBase Spectrum ID |
9cDUTf5VR0e |
| Name |
1,1,10-Trimethyl-trans-decalone; 2(1H)-naphthalenone, octahydro-5,5,8A-trimethyl-, trans-(+/-)-; trans-1,7,7-trimethylbicyclo[4.4.0]decan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-12(2)7-4-8-13(3)9-10(14)5-6-11(12)13/h11H,4-9H2,1-3H3 |
| InChIKey |
YZILXDJWJHJLAM-UHFFFAOYSA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
C1CCC(C)(C)C2CCC(CC12C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.975201 |
