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cis-1-((E)-3-Carbethoxy-2-propenyl)-2-(1-cyanopropyl)cyclopentane
SpectraBase Compound ID 5GSt3pwsetI
InChI InChI=1S/C15H23NO2/c1-2-18-15(17)11-6-10-14-9-5-8-13(14)7-3-4-12-16/h6,11,13-14H,2-5,7-10H2,1H3/b11-6+/t13-,14-/m0/s1
InChIKey MQZGGTTZXAILJT-IOMPXFEGSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2sIiBvfkwP
Name cis-1-((E)-3-Carbethoxy-2-propenyl)-2-(1-cyanopropyl)cyclopentane
Alternate Name(s) cis-1-((E)-3-Carbethoxy-2-propenyl)-2-(3-cyanopropyl)cyclopentane Ethyl (2E)-4-{(1S,2S)-2-[(1S)-1-cyanopropyl]cyclopentyl}-2-butenoate
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Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-2-18-15(17)11-6-10-14-9-5-8-13(14)7-3-4-12-16/h6,11,13-14H,2-5,7-10H2,1H3/b11-6+/t13-,14-/m0/s1
InChIKey MQZGGTTZXAILJT-IOMPXFEGSA-N
Molecular Weight 249.354 g/mol
SMILES C(#N)CCC[C@@]1([C@](C\C=C\C(=O)OCC)(CCC1)[H])[H]
SPLASH splash10-03dr-5900000000-3a67296d176d50e4b93e
Source of Spectrum QE-2-1215-50
Wiley ID 842894