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6-Octynoic acid, 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-oxo-, ethyl ester, (S)-
SpectraBase Compound ID 72y9NIriA0I
InChI InChI=1S/C15H22O5/c1-4-18-14(17)10-12(16)8-6-5-7-9-13-11-19-15(2,3)20-13/h13H,4,6,8-11H2,1-3H3/t13-/m0/s1
InChIKey NGRFGVWWKDHOMV-ZDUSSCGKSA-N
Mol Weight 282.34 g/mol
Molecular Formula C15H22O5
Exact Mass 282.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzIhjCOAhyU
Name 6-Octynoic acid, 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-oxo-, ethyl ester, (S)-
Alternate Name(s) Ethyl (S)-9,10-di-O-isopropylidene-9,10-dihydroxy-3-oxo-6-decyne-1-carboxylate Ethyl 8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxo-6-octynoate
CAS Registry Number 123151-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O5
InChI InChI=1S/C15H22O5/c1-4-18-14(17)10-12(16)8-6-5-7-9-13-11-19-15(2,3)20-13/h13H,4,6,8-11H2,1-3H3/t13-/m0/s1
InChIKey NGRFGVWWKDHOMV-ZDUSSCGKSA-N
Molecular Weight 282.336 g/mol
SMILES C1(O[C@@](CC#CCCC(CC(=O)OCC)=O)(CO1)[H])(C)C
SPLASH splash10-0udi-3920000000-64f31938f09af0a9e1ff
Source of Spectrum J-54-5160-38
Wiley ID 1285796