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Oxirane, [[[3-(phenylthio)-2-propenyl]oxy]methyl]-, (E)-
SpectraBase Compound ID IxPBLa4PzPp
InChI InChI=1S/C12H14O2S/c1-2-5-12(6-3-1)15-8-4-7-13-9-11-10-14-11/h1-6,8,11H,7,9-10H2/b8-4+
InChIKey KTVBSOVBPLZQFH-XBXARRHUSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Rrkul2TDWU
Name Oxirane, [[[3-(phenylthio)-2-propenyl]oxy]methyl]-, (E)-
CAS Registry Number 108788-77-8
Comments Less than 3 mono-isotopic peaks
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Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-2-5-12(6-3-1)15-8-4-7-13-9-11-10-14-11/h1-6,8,11H,7,9-10H2/b8-4+
InChIKey KTVBSOVBPLZQFH-XBXARRHUSA-N
Molecular Weight 222.302 g/mol
SMILES C1(OC1)COC\C=C\Sc1ccccc1
SPLASH splash10-0di0-9900000000-e8742dbe61182fe453cd
Source of Spectrum AJ-60-671-6
Synonyms 2-({[(2E)-3-(phenylsulfanyl)-2-propenyl]oxy}methyl)oxirane 2-oxiranylmethyl (2E)-3-(phenylsulfanyl)-2-propenyl ether trans-1-phenylthio-6,7-epoxy-4-oxahept-1-ene
Wiley ID 1222155