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3,6-Dimethyl-7-nitro-1-oxo-1H-isochromen-8-yl acetate
SpectraBase Compound ID DisSmZCw3rx
InChI InChI=1S/C13H11NO6/c1-6-4-9-5-7(2)19-13(16)10(9)12(20-8(3)15)11(6)14(17)18/h4-5H,1-3H3
InChIKey GNABCWNAWRSWAD-UHFFFAOYSA-N
Mol Weight 277.23 g/mol
Molecular Formula C13H11NO6
Exact Mass 277.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1yuelnacQy
Name 1H-2-BENZOPYRAN-1-ONE, 8-(ACETYLOXY)-3,6-DIMETHYL-7-NITRO-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11NO6
InChI InChI=1S/C13H11NO6/c1-6-4-9-5-7(2)19-13(16)10(9)12(20-8(3)15)11(6)14(17)18/h4-5H,1-3H3
InChIKey GNABCWNAWRSWAD-UHFFFAOYSA-N
Molecular Weight 277.0583
SMILES c1(C)cc2C=C(C)OC(=O)c2c(OC(C)=O)c1N(=O)=O
SPLASH splash10-002o-9530000000-2d16ea61faf129f02e37
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany