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(4R,5R,E)-ethyl 5-(hydroxymethyl)-4-(nitromethyl) oct-2-enoate
SpectraBase Compound ID 577pZgmlLu7
InChI InChI=1S/C12H21NO5/c1-3-5-11(9-14)10(8-13(16)17)6-7-12(15)18-4-2/h6-7,10-11,14H,3-5,8-9H2,1-2H3/b7-6+/t10-,11-/m0/s1
InChIKey LWVQRQCBXFGJKP-JYLGIWJRSA-N
Mol Weight 259.3 g/mol
Molecular Formula C12H21NO5
Exact Mass 259.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pK7uCowhGj
Name (4R,5R,E)-ethyl 5-(hydroxymethyl)-4-(nitromethyl) oct-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO5
InChI InChI=1S/C12H21NO5/c1-3-5-11(9-14)10(8-13(16)17)6-7-12(15)18-4-2/h6-7,10-11,14H,3-5,8-9H2,1-2H3/b7-6+/t10-,11-/m0/s1
InChIKey LWVQRQCBXFGJKP-JYLGIWJRSA-N
Literature Reference DOI 10.1002/adsc.200900879
Molecular Weight 259.302 g/mol
SMILES OC[C@](CCC)([C@@](\C=C\C(OCC)=O)(C[N+]([O-])=O)[H])[H]
SPLASH splash10-0aos-9300000000-fcc226a775df4cbd1e4f
Source of Spectrum ASC-352-987/SM6-9c
Synonyms (4R,5R,E)-ethyl 5-(hydroxymethyl)-4-(nitromethyl)oct-2-enoate
Wiley ID 1764335