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4-(Phenylthio)-3-heptene
SpectraBase Compound ID F5aB4BN0b0Q
InChI InChI=1S/C13H18S/c1-3-8-12(9-4-2)14-13-10-6-5-7-11-13/h5-8,10-11H,3-4,9H2,1-2H3/b12-8+
InChIKey WHAFOVTXFIFYLS-XYOKQWHBSA-N
Mol Weight 206.35 g/mol
Molecular Formula C13H18S
Exact Mass 206.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jre4GQIImtJ
Name 4-(Phenylthio)-3-heptene
Alternate Name(s) phenyl (1E)-1-propyl-1-butenyl sulfide {[(1E)-1-propyl-1-butenyl]sulfanyl}benzene
CAS Registry Number 122540-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S
InChI InChI=1S/C13H18S/c1-3-8-12(9-4-2)14-13-10-6-5-7-11-13/h5-8,10-11H,3-4,9H2,1-2H3/b12-8+
InChIKey WHAFOVTXFIFYLS-XYOKQWHBSA-N
Molecular Weight 206.347 g/mol
SMILES C(\C=C/(Sc1ccccc1)CCC)C
SPLASH splash10-0hk9-9840000000-32ef2d11c8465ba83661
Source of Spectrum J-54-4253-5
Wiley ID 1204881