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trans-3-bromo-4-acetoxy-7,12-dimethyl-1,2,3,4-tetrahydrobenz[5,6-a]anthracene
SpectraBase Compound ID 5h762MCe3AU
InChI InChI=1S/C22H21BrO2/c1-12-15-6-4-5-7-16(15)13(2)21-17(12)8-9-19-18(21)10-11-20(23)22(19)25-14(3)24/h4-9,20,22H,10-11H2,1-3H3/t20-,22-/m0/s1
InChIKey TUOGVACVEJVTHS-UNMCSNQZSA-N
Mol Weight 397.31 g/mol
Molecular Formula C22H21BrO2
Exact Mass 396.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oU88eErjl6
Name trans-3-bromo-4-acetoxy-7,12-dimethyl-1,2,3,4-tetrahydrobenz[5,6-a]anthracene
Alternate Name(s) (3S,4S)-3-bromo-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracen-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21BrO2
InChI InChI=1S/C22H21BrO2/c1-12-15-6-4-5-7-16(15)13(2)21-17(12)8-9-19-18(21)10-11-20(23)22(19)25-14(3)24/h4-9,20,22H,10-11H2,1-3H3/t20-,22-/m0/s1
InChIKey TUOGVACVEJVTHS-UNMCSNQZSA-N
Molecular Weight 397.312 g/mol
SMILES c12c3c([C@](OC(=O)C)([C@](CC3)(Br)[H])[H])ccc1c(C)c1c(c2C)cccc1
SPLASH splash10-0a4i-0091000000-ca14e3edf79b69e11d09
Source of Spectrum J-54-857-34
Wiley ID 1367450