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2H-Azepin-2-one, hexahydro-3-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]amino]-, (E)-(.+-.)-
SpectraBase Compound ID EodFVGHT04X
InChI InChI=1S/C14H19N3O3/c1-9-13(19)11(10(8-18)6-16-9)7-17-12-4-2-3-5-15-14(12)20/h6-7,12,18-19H,2-5,8H2,1H3,(H,15,20)/b17-7+
InChIKey YLFQPTXAMLEMOB-REZTVBANSA-N
Mol Weight 277.32 g/mol
Molecular Formula C14H19N3O3
Exact Mass 277.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DED673mpjO3
Name 2H-Azepin-2-one, hexahydro-3-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]amino]-, (E)-(.+-.)-
CAS Registry Number 122886-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19N3O3
InChI InChI=1S/C14H19N3O3/c1-9-13(19)11(10(8-18)6-16-9)7-17-12-4-2-3-5-15-14(12)20/h6-7,12,18-19H,2-5,8H2,1H3,(H,15,20)/b17-7+
InChIKey YLFQPTXAMLEMOB-REZTVBANSA-N
Molecular Weight 277.324 g/mol
SMILES N1CCCCC(\N=C\c2c(c(ncc2CO)C)O)C1=O
SPLASH splash10-0002-0900000000-4cb61ebb9c8a33bbd207
Source of Spectrum F-44-7290-8
Synonyms 3-({(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene}amino)hexahydro-2H-azepin-2-one N-pyridoxylidene-.epsilon.-Caprolactam
Wiley ID 1280955