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5H-Cyclohepta[a]naphthalene-11-carboxylic acid, 3-bromo-6,8,9,10,11,11a-hexahydro-10-oxo-, methyl ester, trans-
SpectraBase Compound ID GSBiZWomHky
InChI InChI=1S/C17H17BrO3/c1-21-17(20)16-14(19)4-2-3-10-5-6-11-9-12(18)7-8-13(11)15(10)16/h3,7-9,15-16H,2,4-6H2,1H3/t15-,16-/m0/s1
InChIKey LPPZSOCQERQHMC-HOTGVXAUSA-N
Mol Weight 349.22 g/mol
Molecular Formula C17H17BrO3
Exact Mass 348.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyFLiAb0NNV
Name 5H-Cyclohepta[a]naphthalene-11-carboxylic acid, 3-bromo-6,8,9,10,11,11a-hexahydro-10-oxo-, methyl ester, trans-
CAS Registry Number 79975-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrO3
InChI InChI=1S/C17H17BrO3/c1-21-17(20)16-14(19)4-2-3-10-5-6-11-9-12(18)7-8-13(11)15(10)16/h3,7-9,15-16H,2,4-6H2,1H3/t15-,16-/m0/s1
InChIKey LPPZSOCQERQHMC-HOTGVXAUSA-N
Molecular Weight 349.224 g/mol
SMILES [C@]12([C@@](C(=O)OC)(C(=O)CCC=C2CCc2c1ccc(Br)c2)[H])[H]
SPLASH splash10-006x-9200000000-881a16a249bbf5e43542
Source of Spectrum C-103-7571-0
Synonyms 2-Bromo-5,6,7,8-tetrahydronaphtho derivative of 2-methoxycarbonylhept-4-enone Methyl (11R,11aS)-3-bromo-10-oxo-6,8,9,10,11,11a-hexahydro-5H-cyclohepta[a]naphthalene-11-carboxylate
Wiley ID 1340445