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5-(1-benzyl-2-hexahydroazepinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID 1dpNDxEKpXp
InChI InChI=1S/C19H23NO4/c1-19(2)23-17(21)16(18(22)24-19)15-11-7-4-8-12-20(15)13-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKey KPOJEUIMAODMDE-UHFFFAOYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C19H23NO4
Exact Mass 329.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zTrME8xT7B
Name 5-(1-benzyl-2-hexahydroazepinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Alternate Name(s) 5-(1-benzylhexahydro-2H-azepin-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS Registry Number 115860-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO4
InChI InChI=1S/C19H23NO4/c1-19(2)23-17(21)16(18(22)24-19)15-11-7-4-8-12-20(15)13-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKey KPOJEUIMAODMDE-UHFFFAOYSA-N
Molecular Weight 329.396 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)=C1N(Cc2ccccc2)CCCCC1
SPLASH splash10-00ba-0390000000-402992c7c3381184f6f6
Source of Spectrum J-53-5684-4
Wiley ID 1327175