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1-n-Butyl-4,6-dihydro-1H-benzo[5,6]oxepino[3,4-d][1,2,3]triazole
SpectraBase Compound ID 9Bd6bYf9iBb
InChI InChI=1S/C14H17N3O/c1-2-3-8-17-14-12-7-5-4-6-11(12)9-18-10-13(14)15-16-17/h4-7H,2-3,8-10H2,1H3
InChIKey RUNVOYCCYBIZDM-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C14H17N3O
Exact Mass 243.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL95BFRxXLD
Name 1-n-Butyl-4,6-dihydro-1H-benzo[5,6]oxepino[3,4-d][1,2,3]triazole
Appearance Yellow oil
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Formula C14H17N3O
InChI InChI=1S/C14H17N3O/c1-2-3-8-17-14-12-7-5-4-6-11(12)9-18-10-13(14)15-16-17/h4-7H,2-3,8-10H2,1H3
InChIKey RUNVOYCCYBIZDM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.202
Molecular Weight 243.310 g/mol
Reported Formula C14H17N3O
SMILES c12c([n](nn2)CCCC)-c2c(COC1)cccc2
SPLASH splash10-0k96-3950000000-136237617f4bc04d41ec
Source of Spectrum BJO-8-SM11-4i
Wiley ID 1865023