| SpectraBase Spectrum ID |
42qM0PBsYIg |
| Name |
Benz-3-apocarene |
| Alternate Name(s) |
(1aS,7aS)-1,1-Dimethyl-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene
2,2-Dimethyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16 |
| InChI |
InChI=1S/C13H16/c1-13(2)11-7-9-5-3-4-6-10(9)8-12(11)13/h3-6,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1 |
| InChIKey |
UHSLRUJMBCBCLR-RYUDHWBXSA-N |
| Molecular Weight |
172.271 g/mol |
| SMILES |
[C@@]12([C@@](Cc3c(C2)cccc3)([H])C1(C)C)[H] |
| SPLASH |
splash10-004i-2900000000-84cd2dbf41dc560e93db |
| Source of Spectrum |
F-50-13195-41 |
| Wiley ID |
790134 |
