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3-{2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine
SpectraBase Compound ID CCBoB3kDonV
InChI InChI=1S/C14H10ClN5O2/c15-11-5-13-12(21-8-22-13)4-10(11)7-20-18-14(17-19-20)9-2-1-3-16-6-9/h1-6H,7-8H2
InChIKey IXTRIIQYPNIRRS-UHFFFAOYSA-N
Mol Weight 315.72 g/mol
Molecular Formula C14H10ClN5O2
Exact Mass 315.052302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID u5ghrjYUsz
Name 3-{2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine
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Formula C14H10ClN5O2
InChI InChI=1S/C14H10ClN5O2/c15-11-5-13-12(21-8-22-13)4-10(11)7-20-18-14(17-19-20)9-2-1-3-16-6-9/h1-6H,7-8H2
InChIKey IXTRIIQYPNIRRS-UHFFFAOYSA-N
Molecular Weight 315.720 g/mol
SMILES c1cncc(-c2nn[n](Cc3cc4c(cc3Cl)OCO4)n2)c1
SPLASH splash10-02vi-7910000000-d47c3875ada723a848fb
Source of Spectrum IY-2-5180-4
Synonyms Pyridine, 3-[2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetrazol-5-yl]- 3-[2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-tetrazolyl]pyridine 3-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrazol-5-yl]pyridine
Wiley ID 1659787