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2-(3-Oxopropyl)-4-phenylthio-3-sulfolene
SpectraBase Compound ID 5uj6b00mBce
InChI InChI=1S/C13H14O3S2/c14-8-4-7-13-9-12(10-18(13,15)16)17-11-5-2-1-3-6-11/h1-3,5-6,8-9,13H,4,7,10H2
InChIKey QSCVEMSLLHDWGH-UHFFFAOYSA-N
Mol Weight 282.37 g/mol
Molecular Formula C13H14O3S2
Exact Mass 282.038437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTNirgtOtbq
Name 2-(3-Oxopropyl)-4-phenylthio-3-sulfolene
Alternate Name(s) 3-[1,1-dioxido-4-(phenylsulfanyl)-2,5-dihydro-2-thienyl]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S2
InChI InChI=1S/C13H14O3S2/c14-8-4-7-13-9-12(10-18(13,15)16)17-11-5-2-1-3-6-11/h1-3,5-6,8-9,13H,4,7,10H2
InChIKey QSCVEMSLLHDWGH-UHFFFAOYSA-N
Molecular Weight 282.372 g/mol
SMILES C1S(C(C=C1Sc1ccccc1)CCC=O)(=O)=O
SPLASH splash10-066r-4890000000-c85938788e515c0c9b81
Source of Spectrum QA-44-375-4
Wiley ID 862553