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(1S,2S,4aR,8aS)-1-(4-bromo-phenyl)-6-oxo-1,2,3,4,4a,5,6,8a-octahydro-naphthalene-2-carbaldehyde
SpectraBase Compound ID 2cADYIFG1km
InChI InChI=1S/C17H17BrO2/c18-14-5-3-11(4-6-14)17-13(10-19)2-1-12-9-15(20)7-8-16(12)17/h3-8,10,12-13,16-17H,1-2,9H2/t12-,13-,16-,17-/m1/s1
InChIKey ZMYDLOFIDLAGLM-BQGCOEIASA-N
Mol Weight 333.23 g/mol
Molecular Formula C17H17BrO2
Exact Mass 332.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOIsAany4GY
Name (1S,2S,4aR,8aS)-1-(4-bromo-phenyl)-6-oxo-1,2,3,4,4a,5,6,8a-octahydro-naphthalene-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrO2
InChI InChI=1S/C17H17BrO2/c18-14-5-3-11(4-6-14)17-13(10-19)2-1-12-9-15(20)7-8-16(12)17/h3-8,10,12-13,16-17H,1-2,9H2/t12-,13-,16-,17-/m1/s1
InChIKey ZMYDLOFIDLAGLM-BQGCOEIASA-N
Molecular Weight 333.225 g/mol
SMILES [C@@]12(C=CC(C[C@]2(CC[C@@]([C@]1(c1ccc(Br)cc1)[H])(C=O)[H])[H])=O)[H]
SPLASH splash10-05ir-3903000000-cfe427a56e76dc32d688
Source of Spectrum F5-7-3099-5d
Synonyms 1,2,3,4,4a,5,6,8a-Octahydro-6-oxo-1-(p-bromophenyl)-naphthalene-2-carbaldehyde
Wiley ID 1696658