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1,3-Dioxolane-4-carboxylic acid, 5-(4-methoxyphenyl)-2,2-dimethyl-, 1-methylheptyl ester, [4R-[4.alpha.(S*),5.alpha.]]-
SpectraBase Compound ID GAY1nmFwrv4
InChI InChI=1S/C21H32O5/c1-6-7-8-9-10-15(2)24-20(22)19-18(25-21(3,4)26-19)16-11-13-17(23-5)14-12-16/h11-15,18-19H,6-10H2,1-5H3/t15?,18-,19-/m1/s1
InChIKey QVNGJKSUKBGHBX-JCNKGUCWSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30DHQ3JeL4T
Name 1,3-Dioxolane-4-carboxylic acid, 5-(4-methoxyphenyl)-2,2-dimethyl-, 1-methylheptyl ester, [4R-[4.alpha.(S*),5.alpha.]]-
CAS Registry Number 130796-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-6-7-8-9-10-15(2)24-20(22)19-18(25-21(3,4)26-19)16-11-13-17(23-5)14-12-16/h11-15,18-19H,6-10H2,1-5H3/t15?,18-,19-/m1/s1
InChIKey QVNGJKSUKBGHBX-JCNKGUCWSA-N
Molecular Weight 364.482 g/mol
SMILES [C@@]1(C(OC(CCCCCC)C)=O)([C@](OC(O1)(C)C)(c1ccc(cc1)OC)[H])[H]
SPLASH splash10-014i-2900000000-4f4c999835f63b12ae6e
Source of Spectrum B-43-1210-0
Synonyms 1-Methylheptyl (4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate Octyl cis-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-carboxylate
Wiley ID 1350918