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2,2-Dimethyl-4-(1,2,4-triazolyl)-6-phenoxy-3-hexanone

View entire compound with spectra: 4 NMR, 1 FTIR, and 4 MS (GC)

2,2-Dimethyl-4-(1,2,4-triazolyl)-6-phenoxy-3-hexanone
SpectraBase Compound ID 3DXYUubOM1Y
InChI InChI=1S/C16H21N3O2/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKey WSPSSHHJWIEHCA-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C16H21N3O2
Exact Mass 287.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNGw9qtembe
Name 2,2-Dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)-3-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O2
InChI InChI=1S/C16H21N3O2/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKey WSPSSHHJWIEHCA-UHFFFAOYSA-N
Molecular Weight 287.363 g/mol
SMILES c1ccc(cc1)OCCC([n]1cncn1)C(=O)C(C)(C)C
SPLASH splash10-052f-9600000000-f4563a5d7aa855a0c769
Synonyms 2,2-Dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-one
Wiley ID 1472259