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(3-phenylcyclohept-3-en-1-yl) 3,5-dinitrobenzoate
SpectraBase Compound ID 3qYQBwQX91F
InChI InChI=1S/C20H18N2O6/c23-20(16-10-17(21(24)25)13-18(11-16)22(26)27)28-19-9-5-4-8-15(12-19)14-6-2-1-3-7-14/h1-3,6-8,10-11,13,19H,4-5,9,12H2
InChIKey CHHPGWCKAMRNEO-UHFFFAOYSA-N
Mol Weight 382.37 g/mol
Molecular Formula C20H18N2O6
Exact Mass 382.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12YK24QZcG
Name (3-phenylcyclohept-3-en-1-yl) 3,5-dinitrobenzoate
Alternate Name(s) 3,5-Dinitrobenzoic acid (3-phenyl-1-cyclohept-3-enyl) ester 3,5-Dinitrobenzoic acid (3-phenylcyclohept-3-en-1-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O6
InChI InChI=1S/C20H18N2O6/c23-20(16-10-17(21(24)25)13-18(11-16)22(26)27)28-19-9-5-4-8-15(12-19)14-6-2-1-3-7-14/h1-3,6-8,10-11,13,19H,4-5,9,12H2
InChIKey CHHPGWCKAMRNEO-UHFFFAOYSA-N
Molecular Weight 382.372 g/mol
SMILES C1(=CCCCC(C1)OC(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)c1ccccc1
SPLASH splash10-0096-2900000000-01ce6a27d68a26dad64b
Source of Spectrum SO-0-430-8
Wiley ID 1540596