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Dimethyl 4-Acetyl-3-methyl-8-nitro-2-benzoxepine-1,1(3H)-dicarboxylate
SpectraBase Compound ID 7d25uveyh5x
InChI InChI=1S/C17H17NO8/c1-9(19)13-7-11-5-6-12(18(22)23)8-14(11)17(15(20)24-3,16(21)25-4)26-10(13)2/h5-8,10H,1-4H3
InChIKey WVTFMPKDEIEELX-UHFFFAOYSA-N
Mol Weight 363.32 g/mol
Molecular Formula C17H17NO8
Exact Mass 363.095417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOwuWrbN2
Name Dimethyl 4-Acetyl-3-methyl-8-nitro-2-benzoxepine-1,1(3H)-dicarboxylate
Alternate Name(s) Dimethyl 4-acetyl-3-methyl-8-nitrobenzo[c]oxepine-1,1(3H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO8
InChI InChI=1S/C17H17NO8/c1-9(19)13-7-11-5-6-12(18(22)23)8-14(11)17(15(20)24-3,16(21)25-4)26-10(13)2/h5-8,10H,1-4H3
InChIKey WVTFMPKDEIEELX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200004
Molecular Weight 363.322 g/mol
SMILES C1(OC(c2cc(ccc2C=C1C(=O)C)[N+](=O)[O-])(C(=O)OC)C(OC)=O)C
SPLASH splash10-00di-0094000000-24762e5b43b2b90c8a15
Source of Spectrum H-95-1420-15j_12
Wiley ID 1784397