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(1S,2S,4aR,8aS)-1-(4-Bromo-phenyl)-7-methyl-6-oxo-1,2,3,4,4a,5,6,8a-octahydro-naphthalene-2-carbaldehyde
SpectraBase Compound ID fH7qq9PQlR
InChI InChI=1S/C18H19BrO2/c1-11-8-16-13(9-17(11)21)2-3-14(10-20)18(16)12-4-6-15(19)7-5-12/h4-8,10,13-14,16,18H,2-3,9H2,1H3/t13-,14-,16-,18-/m1/s1
InChIKey RNFXCSATOLUPCI-GZOSKZMVSA-N
Mol Weight 347.25 g/mol
Molecular Formula C18H19BrO2
Exact Mass 346.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9kzF8cgovq
Name (1S,2S,4aR,8aS)-1-(4-Bromo-phenyl)-7-methyl-6-oxo-1,2,3,4,4a,5,6,8a-octahydro-naphthalene-2-carbaldehyde
Alternate Name(s) 1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-6-oxo-1-(p-bromophenyl)naphthalene-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19BrO2
InChI InChI=1S/C18H19BrO2/c1-11-8-16-13(9-17(11)21)2-3-14(10-20)18(16)12-4-6-15(19)7-5-12/h4-8,10,13-14,16,18H,2-3,9H2,1H3/t13-,14-,16-,18-/m1/s1
InChIKey RNFXCSATOLUPCI-GZOSKZMVSA-N
Molecular Weight 347.252 g/mol
SMILES [C@@]12(C=C(C(=O)C[C@]2(CC[C@@]([C@]1(c1ccc(cc1)Br)[H])(C=O)[H])[H])C)[H]
SPLASH splash10-008a-1902000000-5ecd781fb2e74e8fd638
Source of Spectrum F5-7-3100-5j
Wiley ID 1696652