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(1R,2R,3R)-2-ethenyl-3-ethoxycarbonyl-1-cycloheptanecarboxylic acid
SpectraBase Compound ID FdKHB8uzWAD
InChI InChI=1S/C13H20O4/c1-3-9-10(12(14)15)7-5-6-8-11(9)13(16)17-4-2/h3,9-11H,1,4-8H2,2H3,(H,14,15)/t9-,10-,11-/m1/s1
InChIKey GIESWYWMGDQCLR-GMTAPVOTSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUqa9Q2sJGL
Name (1R,2R,3R)-2-ethenyl-3-ethoxycarbonyl-1-cycloheptanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-3-9-10(12(14)15)7-5-6-8-11(9)13(16)17-4-2/h3,9-11H,1,4-8H2,2H3,(H,14,15)/t9-,10-,11-/m1/s1
InChIKey GIESWYWMGDQCLR-GMTAPVOTSA-N
Molecular Weight 240.299 g/mol
SMILES OC([C@]1([C@]([C@](C(=O)OCC)(CCCC1)[H])(C=C)[H])[H])=O
SPLASH splash10-006x-7910000000-78f48547cbd3ee83aafe
Source of Spectrum J-61-3877-13
Synonyms (1R,2R,3R)-2-ethenyl-3-ethoxycarbonyl-cycloheptane-1-carboxylic acid (1R,2R,3R)-3-carbethoxy-2-vinyl-cycloheptanecarboxylic acid (1R,2R,3R)-2-ethenyl-3-ethoxycarbonylcycloheptane-1-carboxylic acid
Wiley ID 1242902