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4-Pentenoic acid, 5-ethoxy-2-nitro-, ethyl ester, (E)-
SpectraBase Compound ID 1xDByOMtmos
InChI InChI=1S/C9H15NO5/c1-3-14-7-5-6-8(10(12)13)9(11)15-4-2/h5,7-8H,3-4,6H2,1-2H3/b7-5+
InChIKey VOZPKUYUSWMUTK-FNORWQNLSA-N
Mol Weight 217.22 g/mol
Molecular Formula C9H15NO5
Exact Mass 217.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6pqHORz7Q8
Name 4-Pentenoic acid, 5-ethoxy-2-nitro-, ethyl ester, (E)-
Alternate Name(s) (E)-5-ethoxy-2-nitro-4-pentenoic acid ethyl ester (E)-5-ethoxy-2-nitro-pent-4-enoic acid ethyl ester Ethyl (E)-5-ethoxy-2-nitro-pent-4-enoate
CAS Registry Number 87698-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO5
InChI InChI=1S/C9H15NO5/c1-3-14-7-5-6-8(10(12)13)9(11)15-4-2/h5,7-8H,3-4,6H2,1-2H3/b7-5+
InChIKey VOZPKUYUSWMUTK-FNORWQNLSA-N
Molecular Weight 217.221 g/mol
SMILES C(N(=O)=O)(C(=O)OCC)C\C=C\OCC
SPLASH splash10-000i-9000000000-26c51bf8b2d455a0d15b
Source of Spectrum J-49-150-0
Wiley ID 1216321