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Methyl ester of (4a.alpha.,6.beta.,8a.beta.)-6-Bromo-2-(bromomethyl)-4a,5,6,7,8,8a-hexahydro-5,5,8a-trimethyl-4H-1-benzopyran-3-carboxylic acid

View entire compound with spectra: 1 MS (GC)

Methyl ester of (4a.alpha.,6.beta.,8a.beta.)-6-Bromo-2-(bromomethyl)-4a,5,6,7,8,8a-hexahydro-5,5,8a-trimethyl-4H-1-benzopyran-3-carboxylic acid
SpectraBase Compound ID f79gTgHj5N
InChI InChI=1S/C15H22Br2O3/c1-14(2)11-7-9(13(18)19-4)10(8-16)20-15(11,3)6-5-12(14)17/h11-12H,5-8H2,1-4H3/t11-,12-,15-/m1/s1
InChIKey SUPZNCDGRJAQAZ-LALPHHSUSA-N
Mol Weight 410.15 g/mol
Molecular Formula C15H22Br2O3
Exact Mass 407.993571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mE6xMYu6y
Name Methyl ester of (4a.alpha.,6.beta.,8a.beta.)-6-Bromo-2-(bromomethyl)-4a,5,6,7,8,8a-hexahydro-5,5,8a-trimethyl-4H-1-benzopyran-3-carboxylic acid
Alternate Name(s) Methyl (4aR,6R,8aR)-6-bromo-2-(bromomethyl)-5,5,8a-trimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carboxylate
CAS Registry Number 66901-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22Br2O3
InChI InChI=1S/C15H22Br2O3/c1-14(2)11-7-9(13(18)19-4)10(8-16)20-15(11,3)6-5-12(14)17/h11-12H,5-8H2,1-4H3/t11-,12-,15-/m1/s1
InChIKey SUPZNCDGRJAQAZ-LALPHHSUSA-N
Molecular Weight 410.146 g/mol
SMILES C1(=C(O[C@]2([C@](C1)(C([C@@](CC2)(Br)[H])(C)C)[H])C)CBr)C(=O)OC
SPLASH splash10-0059-0019100000-0f9766a17eee62d1eee9
Source of Spectrum J-43-3697-0
Wiley ID 1372731