| SpectraBase Spectrum ID |
BSc0nDqp3gR |
| Name |
(-)-1A alpha, 2,6,6A beta, 7,7A alpha-hexahydro-1,1,3,6A-tetramethyl-1H-cyclopropa[B]naphthalen-4(5H)-one |
| 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/c1-9-10-7-11-12(14(11,2)3)8-15(10,4)6-5-13(9)16/h11-12H,5-8H2,1-4H3/t11-,12+,15+/m0/s1 |
| InChIKey |
YZENAZYSSSQJTN-YWPYICTPSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
C1[C@@]2(C[C@@]3([C@](CC2=C(C(C1)=O)C)(C3(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Raman) |
0.965378 |
![(-)-1a alpha, 2,6,6a beta, 7,7a alpha-hexahydro-1,1,3,6a-tetramethyl-1H-cyclopropa[b]naphthalen-4(5H)-one](/api/spectrum/BSc0nDqp3gR/structure.png?h=300&w=458 "(-)-1a alpha, 2,6,6a beta, 7,7a alpha-hexahydro-1,1,3,6a-tetramethyl-1H-cyclopropa[b]naphthalen-4(5H)-one")
