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2-(3-Ethoxy-2-phenyl-2-propenyl)-2-nitro-1,3-indandione
SpectraBase Compound ID 6951oPpoJcJ
InChI InChI=1S/C20H17NO5/c1-2-26-13-15(14-8-4-3-5-9-14)12-20(21(24)25)18(22)16-10-6-7-11-17(16)19(20)23/h3-11,13H,2,12H2,1H3/b15-13-
InChIKey HWZZMRBSWHRXQR-SQFISAMPSA-N
Mol Weight 351.36 g/mol
Molecular Formula C20H17NO5
Exact Mass 351.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8HuVBKyHqn
Name 2-(3-Ethoxy-2-phenyl-2-propenyl)-2-nitro-1,3-indandione
Alternate Name(s) 2-[(2Z)-3-ethoxy-2-phenyl-2-propenyl]-2-nitro-1H-indene-1,3(2H)-dione
CAS Registry Number 87698-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO5
InChI InChI=1S/C20H17NO5/c1-2-26-13-15(14-8-4-3-5-9-14)12-20(21(24)25)18(22)16-10-6-7-11-17(16)19(20)23/h3-11,13H,2,12H2,1H3/b15-13-
InChIKey HWZZMRBSWHRXQR-SQFISAMPSA-N
Molecular Weight 351.358 g/mol
SMILES C1(C(c2ccccc2C1=O)=O)(N(=O)=O)C\C(=C\OCC)c1ccccc1
SPLASH splash10-0w29-0908000000-a0df6f147472d06255d0
Source of Spectrum J-49-150-0
Wiley ID 1342636