| SpectraBase Spectrum ID |
Fmpt6h9ROUe |
| Name |
Methyl ester of trans-2-(Bromomethyl)-4a,5,6,7,8,8a-hexahydro-5,5,8a-trimethyl-4H-1-benzopyran-3-carboxylic acid |
| CAS Registry Number |
66901-70-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H23BrO3 |
| InChI |
InChI=1S/C15H23BrO3/c1-14(2)6-5-7-15(3)12(14)8-10(13(17)18-4)11(9-16)19-15/h12H,5-9H2,1-4H3/t12-,15-/m1/s1 |
| InChIKey |
MOQWCAWMRKILGN-IUODEOHRSA-N |
| Molecular Weight |
331.250 g/mol |
| SMILES |
C1(=C(O[C@]2([C@](C1)(C(CCC2)(C)C)[H])C)CBr)C(=O)OC |
| SPLASH |
splash10-0udi-0092000000-135f99273834dd23f066 |
| Source of Spectrum |
J-43-3697-0 |
| Synonyms |
methyl (4aR,8aR)-2-(bromomethyl)-5,5,8a-trimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carboxylate |
| Wiley ID |
1327557 |
