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6,7-DIACETOXY-2,3,4-TRIMETHOXY-5,8-DIDEUTERIO-9,10-DIHYDRO-PHENANTHRENE
SpectraBase Compound ID DKDIQlaE6mu
InChI InChI=1S/C21H22O7/c1-11(22)27-16-8-13-6-7-14-9-18(24-3)20(25-4)21(26-5)19(14)15(13)10-17(16)28-12(2)23/h8-10H,6-7H2,1-5H3/i8D,10D
InChIKey GYMPVDLOPZULCB-ZWFZLLPRSA-N
Mol Weight 388.41 g/mol
Molecular Formula C21H202H2O7
Exact Mass 388.149107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pYG5boCtS1
Name 2,3-Phenanthrene-1,4-D2-diol, 9,10-dihydro-5,6,7-trimethoxy-, diacetate
CAS Registry Number 116979-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20D2O7
InChI InChI=1S/C21H22O7/c1-11(22)27-16-8-13-6-7-14-9-18(24-3)20(25-4)21(26-5)19(14)15(13)10-17(16)28-12(2)23/h8-10H,6-7H2,1-5H3/i8D,10D
InChIKey GYMPVDLOPZULCB-ZWFZLLPRSA-N
Molecular Weight 388.412 g/mol
SMILES c12-c3c(c(OC)c(cc3CCc1c(c(OC(=O)C)c(c2[2D])OC(=O)C)[2D])OC)OC
SPLASH splash10-0udi-0009000000-3081cf3f8e37b78ebc36
Source of Spectrum I-66-413-5
Synonyms 6,7-Diacetoxy-2,3,4-trimethoxy-5,8-dideutero-9,10-dihydrophenanthrene
Wiley ID 1362619