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Dibenz[a,h]anthracen-4-ol, 3-bromo-1,2,3,4-tetrahydro-, acetate, trans-(.+-.)-
SpectraBase Compound ID H0kbNBgT9Gh
InChI InChI=1S/C24H19BrO2/c1-14(26)27-24-20-9-8-17-12-21-16(7-6-15-4-2-3-5-18(15)21)13-22(17)19(20)10-11-23(24)25/h2-9,12-13,23-24H,10-11H2,1H3/t23-,24-/m0/s1
InChIKey ZBXBJOOMJFFXLK-ZEQRLZLVSA-N
Mol Weight 419.32 g/mol
Molecular Formula C24H19BrO2
Exact Mass 418.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lfP6gfjf3P
Name Dibenz[a,h]anthracen-4-ol, 3-bromo-1,2,3,4-tetrahydro-, acetate, trans-(.+-.)-
CAS Registry Number 127239-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19BrO2
InChI InChI=1S/C24H19BrO2/c1-14(26)27-24-20-9-8-17-12-21-16(7-6-15-4-2-3-5-18(15)21)13-22(17)19(20)10-11-23(24)25/h2-9,12-13,23-24H,10-11H2,1H3/t23-,24-/m0/s1
InChIKey ZBXBJOOMJFFXLK-ZEQRLZLVSA-N
Molecular Weight 419.318 g/mol
SMILES c12c([C@](OC(=O)C)([C@](CC2)(Br)[H])[H])ccc2cc3c4c(cccc4)ccc3cc12
SPLASH splash10-0059-0090100000-1d11cfac4933b945043a
Source of Spectrum KC-1989-2233-18
Synonyms (+-)-trans-4-acetoxy-3-bromo-1,2,3,4-tetrahydrodibenz[a,h]anthracene (3S,4S)-3-bromo-1,2,3,4-tetrahydrodibenzo[a,h]anthracen-4-yl acetate
Wiley ID 1377241