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2-[(E)-3-ethoxyallyl]-2-nitro-indane-1,3-dione
SpectraBase Compound ID 15amarSJ57Y
InChI InChI=1S/C14H13NO5/c1-2-20-9-5-8-14(15(18)19)12(16)10-6-3-4-7-11(10)13(14)17/h3-7,9H,2,8H2,1H3/b9-5+
InChIKey NLGKTUAUIQCTMM-WEVVVXLNSA-N
Mol Weight 275.26 g/mol
Molecular Formula C14H13NO5
Exact Mass 275.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1m0wj5x7QrA
Name 2-[(E)-3-ethoxyallyl]-2-nitro-indane-1,3-dione
Alternate Name(s) 2-[(E)-3-ethoxyallyl]-2-nitro-indane-1,3-quinone 2-[(E)-3-ethoxyprop-2-enyl]-2-nitro-indene-1,3-dione
CAS Registry Number 87698-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO5
InChI InChI=1S/C14H13NO5/c1-2-20-9-5-8-14(15(18)19)12(16)10-6-3-4-7-11(10)13(14)17/h3-7,9H,2,8H2,1H3/b9-5+
InChIKey NLGKTUAUIQCTMM-WEVVVXLNSA-N
Molecular Weight 275.260 g/mol
SMILES C1(C(c2ccccc2C1=O)=O)(N(=O)=O)C\C=C\OCC
SPLASH splash10-000i-9010000000-e2a952d9769566aedb84
Source of Spectrum J-49-150-0
Wiley ID 1278995