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Ethyl 4-Acetyl-1,3-dihydro-3-methyl-9-nitro-2-benzoxepine-1-carboxylate
SpectraBase Compound ID CS73lGQajJc
InChI InChI=1S/C16H17NO6/c1-4-22-16(19)15-14-11(6-5-7-13(14)17(20)21)8-12(9(2)18)10(3)23-15/h5-8,10,15H,4H2,1-3H3
InChIKey MYXXGVQLOBZENR-UHFFFAOYSA-N
Mol Weight 319.31 g/mol
Molecular Formula C16H17NO6
Exact Mass 319.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHF9Ik2wpZP
Name Ethyl 4-Acetyl-1,3-dihydro-3-methyl-9-nitro-2-benzoxepine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO6
InChI InChI=1S/C16H17NO6/c1-4-22-16(19)15-14-11(6-5-7-13(14)17(20)21)8-12(9(2)18)10(3)23-15/h5-8,10,15H,4H2,1-3H3
InChIKey MYXXGVQLOBZENR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200004
Molecular Weight 319.313 g/mol
SMILES C1(OC(C(=Cc2c1c(ccc2)[N+](=O)[O-])C(=O)C)C)C(=O)OCC
SPLASH splash10-0002-0890000000-1a955bdb15e074477746
Source of Spectrum H-95-1422-15i_13
Synonyms Ethyl 4-acetyl-3-methyl-9-nitro-1,3-dihydrobenzo[c]oxepine-1-carboxylate
Wiley ID 1784396