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trans-3-bromo-4-hydroxy-7,12-dimethyl-1,2,3,4-tetrahydrobenz[a]anthracene
SpectraBase Compound ID FEvjooT1XdN
InChI InChI=1S/C20H19BrO/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-8,18,20,22H,9-10H2,1-2H3/t18-,20-/m0/s1
InChIKey LIWLRWAVJTWVNN-ICSRJNTNSA-N
Mol Weight 355.28 g/mol
Molecular Formula C20H19BrO
Exact Mass 354.061928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AkeTykEqKJ
Name trans-3-bromo-4-hydroxy-7,12-dimethyl-1,2,3,4-tetrahydrobenz[a]anthracene
Alternate Name(s) (3S,4S)-3-bromo-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracen-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19BrO
InChI InChI=1S/C20H19BrO/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-8,18,20,22H,9-10H2,1-2H3/t18-,20-/m0/s1
InChIKey LIWLRWAVJTWVNN-ICSRJNTNSA-N
Molecular Weight 355.275 g/mol
SMILES O[C@]1(c2c(c3c(c(C)c4c(c3C)cccc4)cc2)CC[C@@]1(Br)[H])[H]
SPLASH splash10-0a4r-0098000000-45b91adc59d4523d9dac
Source of Spectrum J-54-856-33
Wiley ID 1344576