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trans-2-[6-(Methoxycarbonyl)hex-2(Z)-enyl]-3-formylcyclopentanone
SpectraBase Compound ID DioKjS8idpt
InChI InChI=1S/C14H20O4/c1-18-14(17)7-5-3-2-4-6-12-11(10-15)8-9-13(12)16/h2,4,10-12H,3,5-9H2,1H3/b4-2-/t11-,12-/m1/s1
InChIKey RGWUSRMTLLQNHH-DNDCWNJCSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12eFJwwt7Qt
Name trans-2-[6-(Methoxycarbonyl)hex-2(Z)-enyl]-3-formylcyclopentanone
Alternate Name(s) Methyl (5Z)-7-[(1R,2S)-2-formyl-5-oxocyclopentyl]-5-heptenoate (Z)-7-[(1R,2S)-2-formyl-5-oxocyclopentyl]-5-heptenoic acid methyl ester Methyl (Z)-7-[(1R,2S)-2-formyl-5-oxocyclopentyl]hept-5-enoate Methyl (Z)-7-[(1R,2S)-2-formyl-5-oxo-cyclopentyl]hept-5-enoate Methyl (Z)-7-[(1R,2S)-2-methanoyl-5-oxidanylidene-cyclopentyl]hept-5-enoate
CAS Registry Number 81203-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-18-14(17)7-5-3-2-4-6-12-11(10-15)8-9-13(12)16/h2,4,10-12H,3,5-9H2,1H3/b4-2-/t11-,12-/m1/s1
InChIKey RGWUSRMTLLQNHH-DNDCWNJCSA-N
Molecular Weight 252.310 g/mol
SMILES C1([C@@]([C@@](C=O)(CC1)[H])(C\C=C/CCCC(=O)OC)[H])=O
SPLASH splash10-001l-9610000000-411a537cf6aa317c6dea
Source of Spectrum J-47-2386-0
Wiley ID 1255534