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Porson-11,12-diol isomer

View entire compound with spectra: 1 MS (GC)

Porson-11,12-diol isomer
SpectraBase Compound ID Is7etpEn0UC
InChI InChI=1S/C22H28O6/c1-26-20-14-6-4-5-7-18(24)19(25)11-13-8-9-17(23)15(10-13)16(12-14)21(27-2)22(20)28-3/h8-10,12,18-19,23-25H,4-7,11H2,1-3H3/t18?,19-/m0/s1
InChIKey NPPMFGQJCBUBDZ-GGYWPGCISA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HdK7VAbHY
Name Porson-11,12-diol isomer
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-26-20-14-6-4-5-7-18(24)19(25)11-13-8-9-17(23)15(10-13)16(12-14)21(27-2)22(20)28-3/h8-10,12,18-19,23-25H,4-7,11H2,1-3H3/t18?,19-/m0/s1
InChIKey NPPMFGQJCBUBDZ-GGYWPGCISA-N
Molecular Weight 388.460 g/mol
SMILES Oc1c-2cc(C[C@@](C(CCCCc3c(c(c(c2c3)OC)OC)OC)O)(O)[H])cc1
SPLASH splash10-000i-0029000000-502307360f141ee8f823
Source of Spectrum F2-43-1676-2
Wiley ID 1553119