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(4R,5R,E)-ethyl 5-(hydroxymethyl)-6-methyl-4-(nitromethyl) hept-2-enoate
SpectraBase Compound ID 5Bidd4CfoG9
InChI InChI=1S/C12H21NO5/c1-4-18-12(15)6-5-10(7-13(16)17)11(8-14)9(2)3/h5-6,9-11,14H,4,7-8H2,1-3H3/b6-5+/t10-,11+/m0/s1
InChIKey BPBJQEGOBWNKJS-PFDYWKIBSA-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 HwH0sPCoiOZ
Name (4R,5R,E)-ethyl 5-(hydroxymethyl)-6-methyl-4-(nitromethyl) hept-2-enoate
Alternate Name(s) (4R,5R,E)-ethyl 5-(hydroxymethyl)-6-methyl-4-(nitromethyl)hept-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO5
InChI InChI=1S/C12H21NO5/c1-4-18-12(15)6-5-10(7-13(16)17)11(8-14)9(2)3/h5-6,9-11,14H,4,7-8H2,1-3H3/b6-5+/t10-,11+/m0/s1
InChIKey BPBJQEGOBWNKJS-PFDYWKIBSA-N
Literature Reference DOI 10.1002/adsc.200900879
Molecular Weight 259.302 g/mol
SMILES OC[C@](C(C)C)([C@@](\C=C\C(OCC)=O)(C[N+]([O-])=O)[H])[H]
SPLASH splash10-05mk-9400000000-d9af2f031ca347a3dc21
Source of Spectrum ASC-352-987/SM6-9d
Wiley ID 1764336