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3-Isohexyl-3-methyl-2,3,5,6,7,8-hexahydro-1,2,4-benzotriazin-4-oxide
SpectraBase Compound ID JsMHblTIclH
InChI InChI=1S/C14H25N3O/c1-11(2)7-6-10-14(3)16-15-12-8-4-5-9-13(12)17(14)18/h11,16H,4-10H2,1-3H3
InChIKey AJKRFJIHWROCHB-UHFFFAOYSA-N
Mol Weight 251.37 g/mol
Molecular Formula C14H25N3O
Exact Mass 251.199762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhauVKs67vd
Name 3-Isohexyl-3-methyl-2,3,5,6,7,8-hexahydro-1,2,4-benzotriazin-4-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H25N3O
InChI InChI=1S/C14H25N3O/c1-11(2)7-6-10-14(3)16-15-12-8-4-5-9-13(12)17(14)18/h11,16H,4-10H2,1-3H3
InChIKey AJKRFJIHWROCHB-UHFFFAOYSA-N
Molecular Weight 251.374 g/mol
SMILES N1N=C2C(=[N+](C1(CCCC(C)C)C)[O-])CCCC2
SPLASH splash10-0006-9200000000-d39560910236e149ad29
Source of Spectrum CV-1975-794-6
Synonyms 3-Methyl-3-(4-methylpentyl)-2,3,5,6,7,8-hexahydro-1,2,4-benzotriazine 4-oxide
Wiley ID 1576138