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2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-1,2,3,4-tetrazole

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2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-1,2,3,4-tetrazole
SpectraBase Compound ID GVRUHeWRE2o
InChI InChI=1S/C18H15BrN4O3/c1-2-7-24-14-5-3-12(4-6-14)18-20-22-23(21-18)10-13-8-16-17(9-15(13)19)26-11-25-16/h2-6,8-9H,1,7,10-11H2
InChIKey BBZKSIJYZGBPNJ-UHFFFAOYSA-N
Mol Weight 415.25 g/mol
Molecular Formula C18H15BrN4O3
Exact Mass 414.032753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SO06UvNQ0
Name 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-1,2,3,4-tetrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15BrN4O3
InChI InChI=1S/C18H15BrN4O3/c1-2-7-24-14-5-3-12(4-6-14)18-20-22-23(21-18)10-13-8-16-17(9-15(13)19)26-11-25-16/h2-6,8-9H,1,7,10-11H2
InChIKey BBZKSIJYZGBPNJ-UHFFFAOYSA-N
Molecular Weight 415.247 g/mol
SMILES c1cc(ccc1OCC=C)-c1n[n](nn1)Cc1cc2c(cc1Br)OCO2
SPLASH splash10-0cdu-8394000000-fcd88d04604c4181dbac
Source of Spectrum IY-2-5009-1
Synonyms 2H-1,2,3,4-Tetrazole, 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-[4-(2-propenyloxy)phenyl]- 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-prop-2-enoxyphenyl)tetrazole 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(4-prop-2-enoxyphenyl)-1,2,3,4-tetrazole
Wiley ID 1658074