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Cycloheptanepropanoic acid, 1,2-dihydroxy-2,7-dimethyl-, ethyl ester, (1.alpha.,2.alpha.,7.beta.)-(.+-.)-
SpectraBase Compound ID 4muTJrmRkK6
InChI InChI=1S/C14H26O4/c1-4-18-12(15)8-10-14(17)11(2)7-5-6-9-13(14,3)16/h11,16-17H,4-10H2,1-3H3/t11-,13+,14-/m1/s1
InChIKey VUZUKYYCNHADMU-KWCYVHTRSA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hz0sD6z7vVa
Name Cycloheptanepropanoic acid, 1,2-dihydroxy-2,7-dimethyl-, ethyl ester, (1.alpha.,2.alpha.,7.beta.)-(.+-.)-
Alternate Name(s) Ethyl (r-1,c-2-dihydroxy-t-2,t-7-dimethylcyclohept-1-yl)propanoate Ethyl 3-[(1R,2S,7R)-1,2-dihydroxy-2,7-dimethylcycloheptyl]propanoate
CAS Registry Number 116536-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-4-18-12(15)8-10-14(17)11(2)7-5-6-9-13(14,3)16/h11,16-17H,4-10H2,1-3H3/t11-,13+,14-/m1/s1
InChIKey VUZUKYYCNHADMU-KWCYVHTRSA-N
Molecular Weight 258.358 g/mol
SMILES O[C@@]1([C@]([C@@](CCCC1)(C)[H])(CCC(=O)OCC)O)C
SPLASH splash10-0ab9-9300000000-5fbde8f53c86cec14753
Source of Spectrum F-43-5294-7
Wiley ID 1261730