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1-Methylheptyl cis-5-phenyl-2,2-dimethyl-1,3-dioxolan-4-carboxylate
SpectraBase Compound ID FGqK576r3vN
InChI InChI=1S/C20H30O4/c1-5-6-7-9-12-15(2)22-19(21)18-17(23-20(3,4)24-18)16-13-10-8-11-14-16/h8,10-11,13-15,17-18H,5-7,9,12H2,1-4H3/t15?,17-,18-/m0/s1
InChIKey ZPLJOZHQMGQFKS-BEEDKBRMSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EadlBHC2vHG
Name 1-Methylheptyl cis-5-phenyl-2,2-dimethyl-1,3-dioxolan-4-carboxylate
Alternate Name(s) 1-Methylheptyl (4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate
CAS Registry Number 130718-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-5-6-7-9-12-15(2)22-19(21)18-17(23-20(3,4)24-18)16-13-10-8-11-14-16/h8,10-11,13-15,17-18H,5-7,9,12H2,1-4H3/t15?,17-,18-/m0/s1
InChIKey ZPLJOZHQMGQFKS-BEEDKBRMSA-N
Molecular Weight 334.456 g/mol
SMILES [C@]1(C(OC(CCCCCC)C)=O)([C@@](OC(O1)(C)C)(c1ccccc1)[H])[H]
SPLASH splash10-066r-5900000000-58477ca7b97e7c10de5b
Source of Spectrum B-43-1211-0
Wiley ID 1331137