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1-(4-Chlorophenyl)but-2-en-1-yl ethyl carbonate
SpectraBase Compound ID 8dWjCIBoKeQ
InChI InChI=1S/C13H15ClO3/c1-3-5-12(17-13(15)16-4-2)10-6-8-11(14)9-7-10/h3,5-9,12H,4H2,1-2H3
InChIKey LWSMGSLBSUKSLX-UHFFFAOYSA-N
Mol Weight 254.71 g/mol
Molecular Formula C13H15ClO3
Exact Mass 254.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ATJNsb0hrN
Name 1-(4-Chlorophenyl)but-2-en-1-yl ethyl carbonate
Appearance Yellow oil
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Exact Mass 254.070972040 u
Formula C13H15ClO3
InChI InChI=1S/C13H15ClO3/c1-3-5-12(17-13(15)16-4-2)10-6-8-11(14)9-7-10/h3,5-9,12H,4H2,1-2H3
InChIKey LWSMGSLBSUKSLX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201394
Molecular Weight 254.713 g/mol
Quality 78
Reported Formula C13H15(35)ClO3
SMILES C(OC(OCC)=O)(C=CC)C1=CC=C(C=C1)Cl
SPLASH splash10-014i-0920000000-2036dd6a2aad0eeb4947
Sample Comments E/Z = 78:22
Source of Spectrum ASC-365-SM13-5c (DOI: 10.1002/adsc.202201394)
Wiley ID 1902780