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1(4H)-Pyridineacetic acid, 4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-3,5-diformyl-, methyl ester
SpectraBase Compound ID LabYw9eBfxP
InChI InChI=1S/C17H23NO6/c1-17(2)10-23-16(24-11-17)4-14-12(8-19)5-18(6-13(14)9-20)7-15(21)22-3/h5-6,8-9,14,16H,4,7,10-11H2,1-3H3
InChIKey BNWPHURFYYGIII-UHFFFAOYSA-N
Mol Weight 337.37 g/mol
Molecular Formula C17H23NO6
Exact Mass 337.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aiVROKAPIm
Name 1(4H)-Pyridineacetic acid, 4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-3,5-diformyl-, methyl ester
CAS Registry Number 118311-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO6
InChI InChI=1S/C17H23NO6/c1-17(2)10-23-16(24-11-17)4-14-12(8-19)5-18(6-13(14)9-20)7-15(21)22-3/h5-6,8-9,14,16H,4,7,10-11H2,1-3H3
InChIKey BNWPHURFYYGIII-UHFFFAOYSA-N
Molecular Weight 337.372 g/mol
SMILES C=1(C(C(C=O)=CN(C1)CC(=O)OC)CC1OCC(CO1)(C)C)C=O
SPLASH splash10-0a4i-0090000000-a8c069dcf2c897dfea65
Source of Spectrum F-44-2800-19
Synonyms 1,4-Dihydropyridine trialdehyde Methyl (4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-3,5-diformyl-1(4H)-pyridinyl)acetate
Wiley ID 1333026