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(4R*,5S*)-4-Carbethoxy-4-(3-cyanopropyl)-5-cyclohexyl-4,5-dihydro-3-methylene-2(3H)-futranone
SpectraBase Compound ID AAE62r9O877
InChI InChI=1S/C18H25NO4/c1-3-22-17(21)18(11-7-8-12-19)13(2)16(20)23-15(18)14-9-5-4-6-10-14/h14-15H,2-11H2,1H3/t15-,18+/m0/s1
InChIKey OUGISYQCFFPQDQ-MAUKXSAKSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SZntX9LwxS
Name (4R*,5S*)-4-Carbethoxy-4-(3-cyanopropyl)-5-cyclohexyl-4,5-dihydro-3-methylene-2(3H)-futranone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-3-22-17(21)18(11-7-8-12-19)13(2)16(20)23-15(18)14-9-5-4-6-10-14/h14-15H,2-11H2,1H3/t15-,18+/m0/s1
InChIKey OUGISYQCFFPQDQ-MAUKXSAKSA-N
Molecular Weight 319.401 g/mol
SMILES [C@]1([C@@](OC(C1=C)=O)(C1CCCCC1)[H])(C(=O)OCC)CCCC#N
SPLASH splash10-06vi-0971000000-b462dfe3658113b04a6d
Source of Spectrum J-58-2707-20
Synonyms Ethyl (2S,3R)-3-(3-cyanopropyl)-2-cyclohexyl-4-methylene-5-oxotetrahydro-3-furancarboxylate (2S,3R)-3-(3-cyanopropyl)-2-cyclohexyl-4-methylene-5-oxo-3-oxolanecarboxylic acid ethyl ester Ethyl (2S,3R)-3-(3-cyanopropyl)-2-cyclohexyl-4-methylidene-5-oxooxolane-3-carboxylate Ethyl (2S,3R)-3-(3-cyanopropyl)-2-cyclohexyl-4-methylene-5-oxo-tetrahydrofuran-3-carboxylate Ethyl (2S,3R)-3-(3-cyanopropyl)-2-cyclohexyl-4-methylidene-5-oxidanylidene-oxolane-3-carboxylate
Wiley ID 1319415