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2H-1,2,3,4-Tetrazole, 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)-
SpectraBase Compound ID F9YX62YEMjB
InChI InChI=1S/C16H13BrN4O2/c1-10-3-2-4-11(5-10)16-18-20-21(19-16)8-12-6-14-15(7-13(12)17)23-9-22-14/h2-7H,8-9H2,1H3
InChIKey SCLDMRCJEZVRQS-UHFFFAOYSA-N
Mol Weight 373.21 g/mol
Molecular Formula C16H13BrN4O2
Exact Mass 372.022189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Muf8BwCtEI
Name 2H-1,2,3,4-Tetrazole, 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrN4O2
InChI InChI=1S/C16H13BrN4O2/c1-10-3-2-4-11(5-10)16-18-20-21(19-16)8-12-6-14-15(7-13(12)17)23-9-22-14/h2-7H,8-9H2,1H3
InChIKey SCLDMRCJEZVRQS-UHFFFAOYSA-N
Molecular Weight 373.210 g/mol
SMILES c1cc(-c2n[n](Cc3c(cc4c(c3)OCO4)Br)nn2)cc(c1)C
SPLASH splash10-014i-2390000000-82ebc0c0e6a2c6b04439
Source of Spectrum IY-1-4655-9
Synonyms 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)tetrazole 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)-1,2,3,4-tetrazole
Wiley ID 1654542