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9-(1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID LAae0d58KJw
InChI InChI=1S/C20H18O5/c21-12-3-1-5-15-19(12)18(20-13(22)4-2-6-16(20)25-15)11-7-8-14-17(9-11)24-10-23-14/h7-9,18H,1-6,10H2
InChIKey PXRHMNRRSKOBEG-UHFFFAOYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IQOGM2pn6
Name 9-(1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Alternate Name(s) 9-(1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione 9-(1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O5
InChI InChI=1S/C20H18O5/c21-12-3-1-5-15-19(12)18(20-13(22)4-2-6-16(20)25-15)11-7-8-14-17(9-11)24-10-23-14/h7-9,18H,1-6,10H2
InChIKey PXRHMNRRSKOBEG-UHFFFAOYSA-N
Molecular Weight 338.359 g/mol
SMILES C1=2C(C=3C(=O)CCCC3OC2CCCC1=O)c1cc2OCOc2cc1
SPLASH splash10-00kr-1089000000-4404b744e2bdea518876
Source of Spectrum B-60-148-3
Wiley ID 1583778