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3-(Phenylsulfinyl)bicyclo[3.2.0]hept-6-en-2-one
SpectraBase Compound ID 48x1xKH6NLm
InChI InChI=1S/C13H12O2S/c14-13-11-7-6-9(11)8-12(13)16(15)10-4-2-1-3-5-10/h1-7,9,11-12H,8H2
InChIKey YIADIVZURYSKFF-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C13H12O2S
Exact Mass 232.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbqhBHQ0rw4
Name 3-(Phenylsulfinyl)bicyclo[3.2.0]hept-6-en-2-one
CAS Registry Number 98877-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2S
InChI InChI=1S/C13H12O2S/c14-13-11-7-6-9(11)8-12(13)16(15)10-4-2-1-3-5-10/h1-7,9,11-12H,8H2
InChIKey YIADIVZURYSKFF-UHFFFAOYSA-N
Molecular Weight 232.297 g/mol
SMILES C1(C(C2C=CC2C1)=O)S(=O)c1ccccc1
SPLASH splash10-004i-6900000000-369ae32911cd4060684e
Source of Spectrum J-52-1221-10
Wiley ID 1233695