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2-Allylthiepan-3-one
SpectraBase Compound ID 30KeoNKE7T5
InChI InChI=1S/C9H14OS/c1-2-5-9-8(10)6-3-4-7-11-9/h2,9H,1,3-7H2
InChIKey KESXTHWVOYXRIY-UHFFFAOYSA-N
Mol Weight 170.27 g/mol
Molecular Formula C9H14OS
Exact Mass 170.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Lv9FhQ4tWl
Name 2-Allylthiepan-3-one
Alternate Name(s) 2-Prop-2-enyl-3-thiepanone 2-Prop-2-enylthiepan-3-one
CAS Registry Number 120571-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14OS
InChI InChI=1S/C9H14OS/c1-2-5-9-8(10)6-3-4-7-11-9/h2,9H,1,3-7H2
InChIKey KESXTHWVOYXRIY-UHFFFAOYSA-N
Molecular Weight 170.270 g/mol
SMILES C1(C(SCCCC1)CC=C)=O
SPLASH splash10-0006-9800000000-ffceb124e99473a5a57a
Source of Spectrum F-46-6519-15
Wiley ID 1166487