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(+/-)-3-ETHOXYCARBONYL-8-NITRO-2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPIN-1-ONE
SpectraBase Compound ID 9uS4LzBShvv
InChI InChI=1S/C13H14N2O5/c1-2-20-13(17)11-6-4-8-3-5-9(15(18)19)7-10(8)12(16)14-11/h3,5,7,11H,2,4,6H2,1H3,(H,14,16)
InChIKey VAFVDOWRCYPBCO-UHFFFAOYSA-N
Mol Weight 278.26 g/mol
Molecular Formula C13H14N2O5
Exact Mass 278.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2enX3SAyT57
Name 1-keto-8-nitro-2,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid ethyl ester
Alternate Name(s) 8-Nitro-1-oxo-2,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid ethyl ester Ethyl 8-nitro-1-oxidanylidene-2,3,4,5-tetrahydro-2-benzazepine-3-carboxylate Ethyl 8-nitro-1-oxo-2,3,4,5-tetrahydro-2-benzazepine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O5
InChI InChI=1S/C13H14N2O5/c1-2-20-13(17)11-6-4-8-3-5-9(15(18)19)7-10(8)12(16)14-11/h3,5,7,11H,2,4,6H2,1H3,(H,14,16)
InChIKey VAFVDOWRCYPBCO-UHFFFAOYSA-N
Molecular Weight 278.264 g/mol
SMILES N1C(c2c(CCC1C(=O)OCC)ccc(c2)N(=O)=O)=O
SPLASH splash10-0a6r-2390000000-601d88481e41a27678cb
Source of Spectrum Y-31-1614-16
Wiley ID 761790