| SpectraBase Spectrum ID |
rOTuAor5Ma |
| Name |
(1S*,6S*)-6-Methyl 3,4-benzobicyclo[4.2.0]oct-3-en-2-one |
| Alternate Name(s) |
(2aS,8aS)-8a-Methyl-2,2a,8,8a-tetrahydro-1H-cyclobuta[b]naphthalen-3-one
5-methyl-2a,3,8,8a-tetrahydrocyclobuta[b]naphthalen-1(2H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O |
| InChI |
InChI=1S/C13H14O/c1-13-7-6-11(13)12(14)10-5-3-2-4-9(10)8-13/h2-5,11H,6-8H2,1H3/t11-,13+/m1/s1 |
| InChIKey |
ISLIUNRTWXPKAY-YPMHNXCESA-N |
| Molecular Weight |
186.254 g/mol |
| SMILES |
C1([C@@]2([C@](C)(Cc3c1cccc3)CC2)[H])=O |
| SPLASH |
splash10-0a4i-0900000000-5d0a5208164e312399cc |
| Source of Spectrum |
J-58-2802-16 |
| Wiley ID |
1183463 |
![(1S*,6S*)-6-Methyl 3,4-benzobicyclo[4.2.0]oct-3-en-2-one](/api/spectrum/rOTuAor5Ma/structure.png?h=300&w=458 "(1S*,6S*)-6-Methyl 3,4-benzobicyclo[4.2.0]oct-3-en-2-one")
