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9-(2-Phenylethyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID HK4HE2yWMEW
InChI InChI=1S/C21H22O3/c22-16-8-4-10-18-20(16)15(13-12-14-6-2-1-3-7-14)21-17(23)9-5-11-19(21)24-18/h1-3,6-7,15H,4-5,8-13H2
InChIKey DCTQYTVASDVBQQ-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IW82uxX5P6
Name 9-(2-Phenylethyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Alternate Name(s) 1H-Xanthene-1,8(2H)-dione, 3,4,5,6,7,9-hexahydro-9-(2-phenylethyl)- 9-Phenethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione 9-Phenethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone
CAS Registry Number 312280-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c22-16-8-4-10-18-20(16)15(13-12-14-6-2-1-3-7-14)21-17(23)9-5-11-19(21)24-18/h1-3,6-7,15H,4-5,8-13H2
InChIKey DCTQYTVASDVBQQ-UHFFFAOYSA-N
Molecular Weight 322.404 g/mol
SMILES c1ccc(cc1)CCC1C2=C(OC3=C1C(CCC3)=O)CCCC2=O
SPLASH splash10-014i-5290000000-3f4814ce224a65cc5779
Source of Spectrum AD-0-2532-0
Wiley ID 1426310