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(2S,3R)-2-methyl-1-methylene-3-phenyl-3,4-dihydro-2H-xanthen-9-one
SpectraBase Compound ID 5kE0TJ85Bqb
InChI InChI=1S/C21H18O2/c1-13-14(2)20-19(12-17(13)15-8-4-3-5-9-15)23-18-11-7-6-10-16(18)21(20)22/h3-11,13,17H,2,12H2,1H3/t13-,17-/m1/s1
InChIKey ZNLIXINLPGNPIZ-CXAGYDPISA-N
Mol Weight 302.37 g/mol
Molecular Formula C21H18O2
Exact Mass 302.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPdtrQYjg4P
Name (2S,3R)-2-methyl-1-methylene-3-phenyl-3,4-dihydro-2H-xanthen-9-one
Alternate Name(s) (2S,3R)-2-methyl-1-methylidene-3-phenyl-3,4-dihydro-2H-xanthen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O2
InChI InChI=1S/C21H18O2/c1-13-14(2)20-19(12-17(13)15-8-4-3-5-9-15)23-18-11-7-6-10-16(18)21(20)22/h3-11,13,17H,2,12H2,1H3/t13-,17-/m1/s1
InChIKey ZNLIXINLPGNPIZ-CXAGYDPISA-N
Molecular Weight 302.373 g/mol
SMILES C1=2C([C@@](C)([C@@](CC2Oc2c(C1=O)cccc2)(c1ccccc1)[H])[H])=C
SPLASH splash10-0udr-0097000000-6a7191b8fc020fb3d4da
Source of Spectrum KC-0-3739-4
Wiley ID 832057