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3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(1H-indol-3-yl)propanoic acid
SpectraBase Compound ID 1eKzIlm4kxz
InChI InChI=1S/C17H17NO6/c1-17(2)23-15(21)14(16(22)24-17)10(7-13(19)20)11-8-18-12-6-4-3-5-9(11)12/h3-6,8,10,14,18H,7H2,1-2H3,(H,19,20)
InChIKey BEGZCBJXFJRSBY-UHFFFAOYSA-N
Mol Weight 331.32 g/mol
Molecular Formula C17H17NO6
Exact Mass 331.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8kiWIQZDYO
Name 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(1H-indol-3-yl)propanoic acid
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Formula C17H17NO6
InChI InChI=1S/C17H17NO6/c1-17(2)23-15(21)14(16(22)24-17)10(7-13(19)20)11-8-18-12-6-4-3-5-9(11)12/h3-6,8,10,14,18H,7H2,1-2H3,(H,19,20)
InChIKey BEGZCBJXFJRSBY-UHFFFAOYSA-N
Molecular Weight 331.324 g/mol
SMILES [nH]1c2c(c(C(CC(=O)O)C3C(OC(OC3=O)(C)C)=O)c1)cccc2
SPLASH splash10-002f-0940000000-91b92b325f021086b5df
Source of Spectrum U1-2000-3055-12
Synonyms 3-(4,6-diketo-2,2-dimethyl-1,3-dioxan-5-yl)-3-(1H-indol-3-yl)propionic acid 3-[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)propanoic acid
Wiley ID 753950