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2,5-Bis(N-acetyl-N-allylamino)-1-bromo-3,6-diacetoxy-4-methylbenzene
SpectraBase Compound ID BJOOpVYK96x
InChI InChI=1S/C21H25BrN2O6/c1-8-10-23(13(4)25)18-12(3)20(29-15(6)27)19(24(11-9-2)14(5)26)17(22)21(18)30-16(7)28/h8-9H,1-2,10-11H2,3-7H3
InChIKey URXAXQIKGYHSKF-UHFFFAOYSA-N
Mol Weight 481.34 g/mol
Molecular Formula C21H25BrN2O6
Exact Mass 480.0896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Xh1dUEglRF
Name 2,5-Bis(N-acetyl-N-allylamino)-1-bromo-3,6-diacetoxy-4-methylbenzene
CAS Registry Number 98217-16-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25BrN2O6
InChI InChI=1S/C21H25BrN2O6/c1-8-10-23(13(4)25)18-12(3)20(29-15(6)27)19(24(11-9-2)14(5)26)17(22)21(18)30-16(7)28/h8-9H,1-2,10-11H2,3-7H3
InChIKey URXAXQIKGYHSKF-UHFFFAOYSA-N
Molecular Weight 481.343 g/mol
SMILES c1(c(c(OC(=O)C)c(c(c1OC(=O)C)C)N(C(=O)C)CC=C)Br)N(C(=O)C)CC=C
SPLASH splash10-0006-0900000000-21543ab6779e7055ec35
Source of Spectrum J-50-4287-16
Synonyms 2,5-bis[acetyl(allyl)amino]-4-(acetyloxy)-3-bromo-6-methylphenyl acetate
Wiley ID 1395137