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4-Hydroperoxide-5-carboxyethyl-6-phenyl-3,4-dihydro-2H-pyran
SpectraBase Compound ID Bd855nhjQ0G
InChI InChI=1S/C14H16O5/c15-13(16)7-6-11-12(19-17)8-9-18-14(11)10-4-2-1-3-5-10/h1-5,12,17H,6-9H2,(H,15,16)
InChIKey BBFZFIFWDRXPTP-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C14H16O5
Exact Mass 264.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7N9oXIyn08
Name 4-Hydroperoxide-5-carboxyethyl-6-phenyl-3,4-dihydro-2H-pyran
CAS Registry Number 129000-68-6
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O5
InChI InChI=1S/C14H16O5/c15-13(16)7-6-11-12(19-17)8-9-18-14(11)10-4-2-1-3-5-10/h1-5,12,17H,6-9H2,(H,15,16)
InChIKey BBFZFIFWDRXPTP-UHFFFAOYSA-N
Molecular Weight 264.277 g/mol
SMILES OOC1CCOC(=C1CCC(=O)O)c1ccccc1
SPLASH splash10-001i-0090000000-baf51b130b2b7dedd7e5
Source of Spectrum J-55-5504-6
Synonyms 3-(4-hydroperoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)propanoic acid
Wiley ID 1267791