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Methyl ester of (4a.alpha.,6.beta.,8a.beta.)-6-Bromo-4a,5,6,7,8,8a-hexahydro-2,5,5,6a-tetramethyl-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-4a,5,6,7,8,8a-hexahydro-2,5,5,6a-tetramethyl-4H-1-benzopyran-3-carboxylic acid
SpectraBase Compound ID BGESoSZrEg9
InChI InChI=1S/C15H23BrO3/c1-9-10(13(17)18-5)8-11-12(19-9)6-7-15(4,16)14(11,2)3/h11-12H,6-8H2,1-5H3/t11-,12+,15+/m1/s1
InChIKey PHWKXQRMGSDPAX-XUJVJEKNSA-N
Mol Weight 331.25 g/mol
Molecular Formula C15H23BrO3
Exact Mass 330.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZwhLm1mxRU
Name Methyl ester of (4a.alpha.,6.beta.,8a.beta.)-6-Bromo-4a,5,6,7,8,8a-hexahydro-2,5,5,6a-tetramethyl-4H-1-benzopyran-3-carboxylic acid
CAS Registry Number 66901-67-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23BrO3
InChI InChI=1S/C15H23BrO3/c1-9-10(13(17)18-5)8-11-12(19-9)6-7-15(4,16)14(11,2)3/h11-12H,6-8H2,1-5H3/t11-,12+,15+/m1/s1
InChIKey PHWKXQRMGSDPAX-XUJVJEKNSA-N
Molecular Weight 331.250 g/mol
SMILES C1(=C(O[C@@]2([C@@](C1)(C([C@](Br)(C)CC2)(C)C)[H])[H])C)C(=O)OC
SPLASH splash10-0ue9-0096000000-49481d5d9b7c19ab46c4
Source of Spectrum J-43-3697-0
Synonyms methyl (4aS,6S,8aS)-6-bromo-2,5,5,6-tetramethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carboxylate
Wiley ID 1327556