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2-Acetoxy-6-(2-methoxycarbonyl-4,5-methylendioxyphenyl)-p-benzoquinone-4-syn/anti-oximacetate
SpectraBase Compound ID 1xCb5QzTLxp
InChI InChI=1S/C19H15NO9/c1-9(21)28-17-5-11(20-29-10(2)22)4-13(18(17)23)12-6-15-16(27-8-26-15)7-14(12)19(24)25-3/h4-7H,8H2,1-3H3
InChIKey BDJCTEQBTUDQAL-UHFFFAOYSA-N
Mol Weight 401.33 g/mol
Molecular Formula C19H15NO9
Exact Mass 401.074681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnpzzbkGCV8
Name 2-Acetoxy-6-(2-methoxycarbonyl-4,5-methylendioxyphenyl)-p-benzoquinone-4-syn/anti-oximacetate
Alternate Name(s) Methyl 6-(5-acetoxy-3-(acetoxyimino)-6-oxocyclohexa-1,4-dien-1-yl)benzo[d][1,3]dioxole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NO9
InChI InChI=1S/C19H15NO9/c1-9(21)28-17-5-11(20-29-10(2)22)4-13(18(17)23)12-6-15-16(27-8-26-15)7-14(12)19(24)25-3/h4-7H,8H2,1-3H3
InChIKey BDJCTEQBTUDQAL-UHFFFAOYSA-N
Molecular Weight 401.327 g/mol
SMILES C=1(C(C(=CC(C1)=NOC(C)=O)OC(C)=O)=O)c1c(cc2c(c1)OCO2)C(=O)OC
SPLASH splash10-000i-0092200000-e9a7f36dd8b393e5f536
Source of Spectrum K-109-869-(26/27)
Wiley ID 1794076