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2-(Phenylthio)-10a-acetyl-9,10-dihydro-1H-phenanthrene
SpectraBase Compound ID CEIuAujszzK
InChI InChI=1S/C22H20OS/c1-16(23)22-14-13-17-7-5-6-10-20(17)21(22)12-11-19(15-22)24-18-8-3-2-4-9-18/h2-12H,13-15H2,1H3
InChIKey PTKRTYQHBNELHH-UHFFFAOYSA-N
Mol Weight 332.46 g/mol
Molecular Formula C22H20OS
Exact Mass 332.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnQMdSdN9Ho
Name 2-(Phenylthio)-10a-acetyl-9,10-dihydro-1H-phenanthrene
Alternate Name(s) 1-(7-(phenylsulfanyl)-9,10-dihydro-8a(8H)-phenanthrenyl)ethanone
CAS Registry Number 85336-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20OS
InChI InChI=1S/C22H20OS/c1-16(23)22-14-13-17-7-5-6-10-20(17)21(22)12-11-19(15-22)24-18-8-3-2-4-9-18/h2-12H,13-15H2,1H3
InChIKey PTKRTYQHBNELHH-UHFFFAOYSA-N
Molecular Weight 332.461 g/mol
SMILES C=12C(CCc3c2cccc3)(CC(=CC1)Sc1ccccc1)C(=O)C
SPLASH splash10-003u-2911000000-4de59177f9f9994c63cd
Source of Spectrum J-50-4263-38
Wiley ID 1329879