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3-Hexanone, 2,2-dimethyl-6-phenoxy-4-(1H-1,2,4-triazol-1-yl)-, hydrogen sulfate

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3-Hexanone, 2,2-dimethyl-6-phenoxy-4-(1H-1,2,4-triazol-1-yl)-, hydrogen sulfate
SpectraBase Compound ID 4cJIxdKabPi
InChI InChI=1S/C16H21N3O2.H2O4S/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13;1-5(2,3)4/h4-8,11-12,14H,9-10H2,1-3H3;(H2,1,2,3,4)
InChIKey GWJACYNYFWWAEB-UHFFFAOYSA-N
Mol Weight 385.43 g/mol
Molecular Formula C16H23N3O6S
Exact Mass 385.130757 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4eyiK680azR
Name 3-Hexanone, 2,2-dimethyl-6-phenoxy-4-(1H-1,2,4-triazol-1-yl)-, hydrogen sulfate
CAS Registry Number 80553-75-9
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H23N3O6S
InChI InChI=1S/C16H21N3O2.H2O4S/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13;1-5(2,3)4/h4-8,11-12,14H,9-10H2,1-3H3;(H2,1,2,3,4)
InChIKey GWJACYNYFWWAEB-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique KBr-Pellet