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(1R,2R,3R)-3-carbethoxy-2-[(E)-prop-1-enyl]cyclopentanecarboxylic acid
SpectraBase Compound ID 3zwm7hURw3j
InChI InChI=1S/C12H18O4/c1-3-5-8-9(11(13)14)6-7-10(8)12(15)16-4-2/h3,5,8-10H,4,6-7H2,1-2H3,(H,13,14)/b5-3+/t8-,9-,10-/m1/s1
InChIKey OMBFKODZLRXBPX-MIAVJJHVSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLjO2B1g4fd
Name (1R,2R,3R)-3-carbethoxy-2-[(E)-prop-1-enyl]cyclopentanecarboxylic acid
Alternate Name(s) (1R*,2R*,3R*)-3-Carbethoxy-2-(2-propenyl)cyclopentanecarboxylic acid (1R,2R,3R)-2-allyl-3-(ethoxycarbonyl)cyclopentanecarboxylic acid (1R,2R,3R)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]-1-cyclopentanecarboxylic acid (1R,2R,3R)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]cyclopentanecarboxylic acid (1R,2R,3R)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]cyclopentane-1-carboxylic acid
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-5-8-9(11(13)14)6-7-10(8)12(15)16-4-2/h3,5,8-10H,4,6-7H2,1-2H3,(H,13,14)/b5-3+/t8-,9-,10-/m1/s1
InChIKey OMBFKODZLRXBPX-MIAVJJHVSA-N
Molecular Weight 226.272 g/mol
SMILES OC([C@]1([C@]([C@](C(=O)OCC)(CC1)[H])(\C=C\C)[H])[H])=O
SPLASH splash10-0a4i-9430000000-fa27980744366a12040a
Source of Spectrum J-61-3876-2
Wiley ID 1227365