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Propanoic acid, 2,2-dimethyl-, 1-ethenyl-2-hydroxy-1,5,5-trimethyl-4-oxo-2-hexenyl ester, (Z)-
SpectraBase Compound ID 2JLOOKEjC6C
InChI InChI=1S/C16H26O4/c1-9-16(8,20-13(19)15(5,6)7)12(18)10-11(17)14(2,3)4/h9-10,18H,1H2,2-8H3/b12-10-
InChIKey CRMWFKBKIZYEBQ-BENRWUELSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyYqL93jaZr
Name Propanoic acid, 2,2-dimethyl-, 1-ethenyl-2-hydroxy-1,5,5-trimethyl-4-oxo-2-hexenyl ester, (Z)-
Alternate Name(s) (2Z)-2-hydroxy-1,5,5-trimethyl-4-oxo-1-vinyl-2-hexenyl pivalate 5-Hydroxy-2,2,6-trimethyl-6-pivaloyloxyocta-5,7-dien-3-one
CAS Registry Number 122602-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-9-16(8,20-13(19)15(5,6)7)12(18)10-11(17)14(2,3)4/h9-10,18H,1H2,2-8H3/b12-10-
InChIKey CRMWFKBKIZYEBQ-BENRWUELSA-N
Molecular Weight 282.380 g/mol
SMILES O\C(=C/C(C(C)(C)C)=O)C(OC(C(C)(C)C)=O)(C=C)C
SPLASH splash10-00di-0900000000-d84f3f18d297ab0056c4
Source of Spectrum KC-1988-1379-36
Wiley ID 1285968