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1-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-furyl]ethanone
SpectraBase Compound ID DnODCYsUpUN
InChI InChI=1S/C14H13N3O2/c1-9(18)12-7-11(19-10(12)2)8-17-14-6-4-3-5-13(14)15-16-17/h3-7H,8H2,1-2H3
InChIKey FYYDDCLJWJQTPU-UHFFFAOYSA-N
Mol Weight 255.28 g/mol
Molecular Formula C14H13N3O2
Exact Mass 255.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qQLFaVhdN
Name 1-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-furyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.100776669 u
Formula C14H13N3O2
InChI InChI=1S/C14H13N3O2/c1-9(18)12-7-11(19-10(12)2)8-17-14-6-4-3-5-13(14)15-16-17/h3-7H,8H2,1-2H3
InChIKey FYYDDCLJWJQTPU-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Molecular Weight 255.277 g/mol
Quality 836
SMILES C1=CC=CC=2N(N=NC12)CC=1OC(=C(C1)C(=O)C)C
SPLASH splash10-000i-2910000000-741940d6d2d5c8f70037
Source of Spectrum ACI-57-SM175-175-2 (DOI: 10.1002/anie.201807039)
Wiley ID 1896808