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1-[5-[1-(benzotriazol-1-yl)heptyl]-2-methyl-3-furyl]ethanone
SpectraBase Compound ID IEwNr4V4NOm
InChI InChI=1S/C20H25N3O2/c1-4-5-6-7-12-19(20-13-16(14(2)24)15(3)25-20)23-18-11-9-8-10-17(18)21-22-23/h8-11,13,19H,4-7,12H2,1-3H3
InChIKey JEZPJJGXCFLMJC-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C20H25N3O2
Exact Mass 339.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1dHIZxK4Y4
Name 1-[5-[1-(benzotriazol-1-yl)heptyl]-2-methyl-3-furyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25N3O2
InChI InChI=1S/C20H25N3O2/c1-4-5-6-7-12-19(20-13-16(14(2)24)15(3)25-20)23-18-11-9-8-10-17(18)21-22-23/h8-11,13,19H,4-7,12H2,1-3H3
InChIKey JEZPJJGXCFLMJC-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Molecular Weight 339.439 g/mol
Quality 835
SMILES C1=CC=CC=2N(N=NC12)C(C=1OC(=C(C1)C(=O)C)C)CCCCCC
SPLASH splash10-009i-2950000000-e5aa851def346a74b4a4
Source of Spectrum ACI-57-SM173-173-2 (DOI: 10.1002/anie.201807039)
Wiley ID 1896806