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2(3H)-Furanone, dihydro-5-[1-(phenylsulfinyl)propylidene]-, (E)-
SpectraBase Compound ID pPKxQT2NDL
InChI InChI=1S/C13H14O3S/c1-2-12(11-8-9-13(14)16-11)17(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/b12-11+
InChIKey AYSRWNLYFLKXFU-VAWYXSNFSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALTRpDvmqTQ
Name 2(3H)-Furanone, dihydro-5-[1-(phenylsulfinyl)propylidene]-, (E)-
Alternate Name(s) (5E)-5-[1-(phenylsulfinyl)propylidene]dihydro-2(3H)-furanone (E)-4-(1-phenylsulphinylpropylidene)butan-4-olide
CAS Registry Number 109574-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-2-12(11-8-9-13(14)16-11)17(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/b12-11+
InChIKey AYSRWNLYFLKXFU-VAWYXSNFSA-N
Molecular Weight 250.312 g/mol
SMILES c1(S(\C(=C/2OC(=O)CC2)CC)=O)ccccc1
SPLASH splash10-001i-0190000000-e71a20c4c0befcfc4e70
Source of Spectrum KC-1986-2002-0
Wiley ID 1253055