| SpectraBase Spectrum ID |
3M5DcZ7WNwR |
| Name |
(-)-1A alpha, 2,6,6A beta, 7,7A alpha-hexahydro-1,1,6A-trimethyl-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 |
204.151415263 u |
| Formula |
C14H20O |
| InChI |
InChI=1S/C14H20O/c1-13(2)11-7-9-6-10(15)4-5-14(9,3)8-12(11)13/h6,11-12H,4-5,7-8H2,1-3H3/t11-,12+,14+/m0/s1 |
| InChIKey |
LWVWPPJYFRRTPR-OUCADQQQSA-N |
| Molecular Weight |
204.313 g/mol |
| SMILES |
C1[C@@]2(C[C@@]3([C@](CC2=CC(C1)=O)(C3(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Raman) |
0.976316 |
![(-)-1a alpha, 2,6,6a beta, 7,7a alpha-hexahydro-1,1,6a-trimethyl-1H-cyclopropa[b]naphthalen-4(5H)-one](/api/spectrum/3M5DcZ7WNwR/structure.png?h=300&w=458 "(-)-1a alpha, 2,6,6a beta, 7,7a alpha-hexahydro-1,1,6a-trimethyl-1H-cyclopropa[b]naphthalen-4(5H)-one")
