| SpectraBase Spectrum ID |
3PeFGtRW0dA |
| Name |
Cyclopropa[de]naphthalene, 1,3A,3B,4,6A,6B-hexahydro-2,3B,6-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
174.140850580 u |
| Formula |
C13H18 |
| InChI |
InChI=1S/C13H18/c1-8-6-10-9(2)4-5-13(3)11(7-8)12(10)13/h4,7,10-12H,5-6H2,1-3H3 |
| InChIKey |
IPLGYVFKJSSQGY-UHFFFAOYSA-N |
| Molecular Weight |
174.287 g/mol |
| SMILES |
C12(C3C(CC(=CC23)C)C(=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95672 |
![Cyclopropa[de]naphthalene, 1,3a,3b,4,6a,6b-hexahydro-2,3b,6-trimethyl-](/api/spectrum/3PeFGtRW0dA/structure.png?h=300&w=458 "Cyclopropa[de]naphthalene, 1,3a,3b,4,6a,6b-hexahydro-2,3b,6-trimethyl-")
