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5-(4-Methylsulfanylpent-4-enyl)-1,3-benzodioxole
SpectraBase Compound ID 6em2G8Z4WzF
InChI InChI=1S/C13H16O2S/c1-10(16-2)4-3-5-11-6-7-12-13(8-11)15-9-14-12/h6-8H,1,3-5,9H2,2H3
InChIKey YAVWXIMUVVNYPT-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HT1CLInIB7P
Name 5-(4-Methylsulfanylpent-4-enyl)-1,3-benzodioxole
CAS Registry Number 67556-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-10(16-2)4-3-5-11-6-7-12-13(8-11)15-9-14-12/h6-8H,1,3-5,9H2,2H3
InChIKey YAVWXIMUVVNYPT-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES c12c(OCO2)ccc(c1)CCCC(=C)SC
SPLASH splash10-0002-0900000000-f2333c7c2a3f8045de95
Source of Spectrum J-43-4550-0
Synonyms 5-[4-(methylsulfanyl)-4-pentenyl]-1,3-benzodioxole 5-[4-(methylthio)pent-4-enyl]-1,3-benzodioxole
Wiley ID 1237965