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(4R,5R,E)-Ethyl 5-cyclohexyl-6-hydroxy-4-(nitromethyl) hex-2-enoate
SpectraBase Compound ID 29XBe2v5VCv
InChI InChI=1S/C15H25NO5/c1-2-21-15(18)9-8-13(10-16(19)20)14(11-17)12-6-4-3-5-7-12/h8-9,12-14,17H,2-7,10-11H2,1H3/b9-8+/t13-,14+/m0/s1
InChIKey AIVCVCUKZBTPJU-NYCDYWJRSA-N
Mol Weight 299.37 g/mol
Molecular Formula C15H25NO5
Exact Mass 299.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Z11UwWR2re
Name (4R,5R,E)-Ethyl 5-cyclohexyl-6-hydroxy-4-(nitromethyl) hex-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25NO5
InChI InChI=1S/C15H25NO5/c1-2-21-15(18)9-8-13(10-16(19)20)14(11-17)12-6-4-3-5-7-12/h8-9,12-14,17H,2-7,10-11H2,1H3/b9-8+/t13-,14+/m0/s1
InChIKey AIVCVCUKZBTPJU-NYCDYWJRSA-N
Literature Reference DOI 10.1002/adsc.200900879
Molecular Weight 299.367 g/mol
SMILES OC[C@@]([C@](C[N+]([O-])=O)(\C=C\C(OCC)=O)[H])(C1CCCCC1)[H]
SPLASH splash10-05qa-9400000000-1d80329984d23f1f2f20
Source of Spectrum ASC-352-987/SM7-9g
Synonyms (4R,5R,E)-ethyl 5-cyclohexyl-6-hydroxy-4-(nitromethyl)hex-2-enoate
Wiley ID 1764339