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(phenylmethyl) 6-chloranyl-5-methoxy-3-oxidanylidene-hexanoate
SpectraBase Compound ID 4Fx7zOhxBE1
InChI InChI=1S/C14H17ClO4/c1-18-13(9-15)7-12(16)8-14(17)19-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKey ZVKNLWKFPWYEBQ-UHFFFAOYSA-N
Mol Weight 284.74 g/mol
Molecular Formula C14H17ClO4
Exact Mass 284.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzuC0KBkiqq
Name (phenylmethyl) 6-chloranyl-5-methoxy-3-oxidanylidene-hexanoate
Alternate Name(s) 6-Chloro-3-keto-5-methoxy-hexanoic acid benzyl ester 6-Chloro-5-methoxy-3-oxohexanoic acid (phenylmethyl) ester benzyl 6-chloro-5-methoxy-3-oxo-hexanoate
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Formula C14H17ClO4
InChI InChI=1S/C14H17ClO4/c1-18-13(9-15)7-12(16)8-14(17)19-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKey ZVKNLWKFPWYEBQ-UHFFFAOYSA-N
Molecular Weight 284.739 g/mol
SMILES C(C(=O)OCc1ccccc1)C(CC(OC)CCl)=O
SPLASH splash10-004i-0790000000-14792dbea790081a12bd
Source of Spectrum H-2005-2079-3
Wiley ID 1562725