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5,5-Dimethyl-6-[(phenylsulfinyl)methyl]bicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID 1ndOjnJPUbY
InChI InChI=1S/C16H20O2S/c1-16(2)11-8-13(15(17)9-11)14(16)10-19(18)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKey VRDQLECWTXPWTJ-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tQItQoHOCW
Name 5,5-Dimethyl-6-[(phenylsulfinyl)methyl]bicyclo[2.2.1]heptan-2-one
CAS Registry Number 126574-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-16(2)11-8-13(15(17)9-11)14(16)10-19(18)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKey VRDQLECWTXPWTJ-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES C1(C2C(=O)CC(C1(C)C)C2)CS(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-252401ae2a977d577347
Source of Spectrum B-42-1481-15
Wiley ID 1280101