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5-(propylthio)-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
SpectraBase Compound ID B2Nhg7HR1Rv
InChI InChI=1S/C11H12O4S/c1-2-3-16-6-4-5-7-8(9(6)14-5)11(13)15-10(7)12/h4-5,7-9H,2-3H2,1H3
InChIKey YACBHUFXYSTZFP-UHFFFAOYSA-N
Mol Weight 240.27 g/mol
Molecular Formula C11H12O4S
Exact Mass 240.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jtp3jokZ9HV
Name 5-(propylthio)-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4S
InChI InChI=1S/C11H12O4S/c1-2-3-16-6-4-5-7-8(9(6)14-5)11(13)15-10(7)12/h4-5,7-9H,2-3H2,1H3
InChIKey YACBHUFXYSTZFP-UHFFFAOYSA-N
Molecular Weight 240.273 g/mol
SMILES C12OC(C(SCCC)=C2)C2C(OC(C12)=O)=O
SPLASH splash10-004i-9000000000-cfdb33937b2e129531cd
Source of Spectrum JX-2015-1-261
Wiley ID 1721106