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Cyclopentanecarboxylic acid,3-butoxy-4-(2,2-dimethyl-1-methylenepropyl)-,1,1-dimethylethyl ester (1.alpha.,3.alpha.,4.beta.)-

View entire compound with spectra: 1 MS (GC)

Cyclopentanecarboxylic acid,3-butoxy-4-(2,2-dimethyl-1-methylenepropyl)-,1,1-dimethylethyl ester (1.alpha.,3.alpha.,4.beta.)-
SpectraBase Compound ID JoTXuATJ09
InChI InChI=1S/C20H36O3/c1-9-10-11-22-17-13-15(18(21)23-20(6,7)8)12-16(17)14(2)19(3,4)5/h15-17H,2,9-13H2,1,3-8H3/t15-,16+,17-/m0/s1
InChIKey USMITFZVNIQJJY-BBWFWOEESA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KVNcQ9ZDnw
Name Cyclopentanecarboxylic acid,3-butoxy-4-(2,2-dimethyl-1-methylenepropyl)-,1,1-dimethylethyl ester (1.alpha.,3.alpha.,4.beta.)-
CAS Registry Number 137252-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-9-10-11-22-17-13-15(18(21)23-20(6,7)8)12-16(17)14(2)19(3,4)5/h15-17H,2,9-13H2,1,3-8H3/t15-,16+,17-/m0/s1
InChIKey USMITFZVNIQJJY-BBWFWOEESA-N
Molecular Weight 324.505 g/mol
SMILES [C@@]1(C(C(C)(C)C)=C)(C[C@](C(OC(C)(C)C)=O)(C[C@@]1(OCCCC)[H])[H])[H]
SPLASH splash10-0a4i-9020000000-27c59743050187a444ec
Source of Spectrum J-57-109-19
Synonyms tert-Butyl (1S,3S,4R)-3-butoxy-4-(1-tert-butylvinyl)cyclopentanecarboxylate
Wiley ID 1323574