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(anti,syn)-3,5-Dinitrobenzoic acid 3-ethyl-2-methoxycarbonylcyclopentyl ester
SpectraBase Compound ID LR33H2XkLJs
InChI InChI=1S/C16H18N2O8/c1-3-9-4-5-13(14(9)16(20)25-2)26-15(19)10-6-11(17(21)22)8-12(7-10)18(23)24/h6-9,13-14H,3-5H2,1-2H3
InChIKey ZYXCMWNLDYAGCC-UHFFFAOYSA-N
Mol Weight 366.33 g/mol
Molecular Formula C16H18N2O8
Exact Mass 366.106316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GSbMydpbte
Name (anti,syn)-3,5-Dinitrobenzoic acid 3-ethyl-2-methoxycarbonylcyclopentyl ester
Alternate Name(s) 3-Ethyl-2-(methoxycarbonyl)cyclopentyl 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O8
InChI InChI=1S/C16H18N2O8/c1-3-9-4-5-13(14(9)16(20)25-2)26-15(19)10-6-11(17(21)22)8-12(7-10)18(23)24/h6-9,13-14H,3-5H2,1-2H3
InChIKey ZYXCMWNLDYAGCC-UHFFFAOYSA-N
Molecular Weight 366.326 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(C(OC2C(C(=O)OC)C(CC)CC2)=O)c1
SPLASH splash10-00kb-3900000000-e12245a2d19be1032e46
Source of Spectrum KC-57-2165-13
Wiley ID 1623331