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(1S,3R,5R)-3-(carbomethoxy)-4,4,5-trimethylcyclopentanecarboxylic acid
SpectraBase Compound ID 4w7G7J6cCI0
InChI InChI=1S/C11H18O4/c1-6-7(9(12)13)5-8(10(14)15-4)11(6,2)3/h6-8H,5H2,1-4H3,(H,12,13)/t6-,7+,8+/m1/s1
InChIKey CYOZPPMSSSDWBU-CSMHCCOUSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZIGBgRSvqu
Name (1S,3R,5R)-3-(carbomethoxy)-4,4,5-trimethylcyclopentanecarboxylic acid
Alternate Name(s) (1S,2R,4R)-4-(methoxycarbonyl)-2,3,3-trimethylcyclopentanecarboxylic acid
CAS Registry Number 127255-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-6-7(9(12)13)5-8(10(14)15-4)11(6,2)3/h6-8H,5H2,1-4H3,(H,12,13)/t6-,7+,8+/m1/s1
InChIKey CYOZPPMSSSDWBU-CSMHCCOUSA-N
Molecular Weight 214.261 g/mol
SMILES OC([C@@]1([C@](C([C@@](C1)(C(=O)OC)[H])(C)C)(C)[H])[H])=O
SPLASH splash10-0aou-7900000000-5d3d17dcc8d28e9edccd
Source of Spectrum J-55-4056-9
Wiley ID 1213392