| SpectraBase Spectrum ID |
CCrk9f9sHYe |
| Name |
Methyl (4aR*,5S*)-5-Hydroxy-1-methoxy-5-methyl-4a,5,6,7,8,9-hexahydro-2H-benzocycloheptene-2-carboxylate |
| Alternate Name(s) |
methyl (4aR,5S)-5-hydroxy-1-methoxy-5-methyl-4a,5,6,7,8,9-hexahydro-2H-benzo[a]cycloheptene-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-15(17)9-5-4-6-10-12(15)8-7-11(13(10)18-2)14(16)19-3/h7-8,11-12,17H,4-6,9H2,1-3H3/t11?,12-,15+/m1/s1 |
| InChIKey |
AFWQLLRYISDEQC-ZCADOIRISA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
O[C@@]1([C@]2(C(=C(C(C=C2)C(=O)OC)OC)CCCC1)[H])C |
| SPLASH |
splash10-00di-0900000000-2d3eef48be4492ec2a81 |
| Source of Spectrum |
F-68-5915-44 |
| Wiley ID |
1572976 |
