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2-Cyclopenten-1-one, 5-[(3,5-dinitrobenzoyl)oxy]-4-methoxy-5-(methoxymethyl)-, trans-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2-Cyclopenten-1-one, 5-[(3,5-dinitrobenzoyl)oxy]-4-methoxy-5-(methoxymethyl)-, trans-(.+-.)-
SpectraBase Compound ID JNmx3i78Xzq
InChI InChI=1S/C15H14N2O9/c1-24-8-15(12(18)3-4-13(15)25-2)26-14(19)9-5-10(16(20)21)7-11(6-9)17(22)23/h3-7,13H,8H2,1-2H3/t13-,15-/m0/s1
InChIKey FPBZAPFMTBRTET-ZFWWWQNUSA-N
Mol Weight 366.28 g/mol
Molecular Formula C15H14N2O9
Exact Mass 366.06993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lV59ntBMib
Name 2-Cyclopenten-1-one, 5-[(3,5-dinitrobenzoyl)oxy]-4-methoxy-5-(methoxymethyl)-, trans-(.+-.)-
CAS Registry Number 129076-61-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N2O9
InChI InChI=1S/C15H14N2O9/c1-24-8-15(12(18)3-4-13(15)25-2)26-14(19)9-5-10(16(20)21)7-11(6-9)17(22)23/h3-7,13H,8H2,1-2H3/t13-,15-/m0/s1
InChIKey FPBZAPFMTBRTET-ZFWWWQNUSA-N
Molecular Weight 366.282 g/mol
SMILES [C@@]1(OC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)(C(C=C[C@@]1(OC)[H])=O)COC
SPLASH splash10-0002-9603000000-038d5d824da6fdfee42a
Source of Spectrum F-46-2605-27
Synonyms (1R,2S)-2-methoxy-1-(methoxymethyl)-5-oxo-3-cyclopenten-1-yl 3,5-dinitrobenzoate (4S,5R)-5-(3,5-dinitrophenylcarbonyloxy)-4-methoxy-5-methoxymethyl-2-cyclopentenone 3,5-Dinitrobenzoic acid[(1R,2S)-2-methoxy-1-(methoxymethyl)-5-oxo-1-cyclopent-3-enyl]ester 3,5-Dinitrobenzoic acid[(1R,5S)-2-keto-5-methoxy-1-(methoxymethyl)cyclopent-3-en-1-yl]ester [(1R,2S)-2-methoxy-1-(methoxymethyl)-5-oxidanylidene-cyclopent-3-en-1-yl]3,5-dinitrobenzoate [(1R,2S)-2-methoxy-1-(methoxymethyl)-5-oxo-cyclopent-3-en-1-yl]3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid [(1R,2S)-2-methoxy-1-(methoxymethyl)-5-oxo-1-cyclopent-3-enyl] ester [(1R,2S)-2-methoxy-1-(methoxymethyl)-5-oxocyclopent-3-en-1-yl] 3,5-dinitrobenzoate [(1R,2S)-2-methoxy-1-(methoxymethyl)-5-oxo-cyclopent-3-en-1-yl] 3,5-dinitrobenzoate [(1R,2S)-2-methoxy-1-(methoxymethyl)-5-oxidanylidene-cyclopent-3-en-1-yl] 3,5-dinitrobenzoate
Wiley ID 1351666