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2(1H)-Phenanthrenone, 3,4-dihydro-9-methoxy-1-(methylthio)-
SpectraBase Compound ID Jw8hBgkL9ax
InChI InChI=1S/C16H16O2S/c1-18-15-9-13-11(7-8-14(17)16(13)19-2)10-5-3-4-6-12(10)15/h3-6,9,16H,7-8H2,1-2H3
InChIKey JHHGSCKPFBWKRN-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoqRdZZ1ziU
Name 2(1H)-Phenanthrenone, 3,4-dihydro-9-methoxy-1-(methylthio)-
Alternate Name(s) 9-Methoxy-1-(methylsulfanyl)-3,4-dihydro-2(1H)-phenanthrenone 9-Methoxy-1-methylthio-3,4-dihydrophenanthren-2(1H)-one
CAS Registry Number 79900-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-18-15-9-13-11(7-8-14(17)16(13)19-2)10-5-3-4-6-12(10)15/h3-6,9,16H,7-8H2,1-2H3
InChIKey JHHGSCKPFBWKRN-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES c12c(c3ccccc3c(c2)OC)CCC(C1SC)=O
SPLASH splash10-0101-0960000000-7a40aa66ae6b763b9ab8
Source of Spectrum B-34-1241-0
Wiley ID 1276218