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4H-Pyran-4-one, 3-acetyl-2-[(1,3-benzodioxol-5-ylmethyl)amino]-6-methyl-
SpectraBase Compound ID 3Fku9S4pSf
InChI InChI=1S/C16H15NO5/c1-9-5-12(19)15(10(2)18)16(22-9)17-7-11-3-4-13-14(6-11)21-8-20-13/h3-6,17H,7-8H2,1-2H3
InChIKey MZQYKGHAGRTHRH-UHFFFAOYSA-N
Mol Weight 301.3 g/mol
Molecular Formula C16H15NO5
Exact Mass 301.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2MwBCZk77o
Name 4H-Pyran-4-one, 3-acetyl-2-[(1,3-benzodioxol-5-ylmethyl)amino]-6-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO5
InChI InChI=1S/C16H15NO5/c1-9-5-12(19)15(10(2)18)16(22-9)17-7-11-3-4-13-14(6-11)21-8-20-13/h3-6,17H,7-8H2,1-2H3
InChIKey MZQYKGHAGRTHRH-UHFFFAOYSA-N
Molecular Weight 301.298 g/mol
SMILES N(C=1OC(C)=CC(=O)C1C(=O)C)Cc1cc2c(cc1)OCO2
SPLASH splash10-000i-4911000000-92275395b0d28a83320f
Source of Spectrum IY-2-4722-8
Synonyms 3-Acetyl-2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-pyranone 3-Acetyl-2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyran-4-one 3-Acetyl-2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-pyran-4-one 2-(1,3-benzodioxol-5-ylmethylamino)-3-ethanoyl-6-methyl-pyran-4-one
Wiley ID 1655211