| SpectraBase Spectrum ID |
674R1WR19jL |
| Name |
1(2H)-Naphthalenone, 3,4,4A,5,6,7-hexahydro-4A,5-dimethyl-3-(1-methylethenyl)-, (3.alpha.,4A.alpha.,5.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12H,1,5-6,8-9H2,2-4H3/t11-,12+,15+/m1/s1 |
| InChIKey |
BSUGIIZTULADOL-XUJVJEKNSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
[C@]12(C(C(=O)C[C@@](C2)(C(=C)C)[H])=CCC[C@]1(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886016 |
