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3,3'-Bisphenanthrol methyl phosphate

View entire compound with spectra: 1 MS (GC)

3,3'-Bisphenanthrol methyl phosphate
SpectraBase Compound ID 18Wiz3dQAIW
InChI InChI=1S/C41H27O4P/c1-43-46(42)44-40-36-30(22-20-28-16-8-10-18-32(28)36)24-34(26-12-4-2-5-13-26)38(40)39-35(27-14-6-3-7-15-27)25-31-23-21-29-17-9-11-19-33(29)37(31)41(39)45-46/h2-25H,1H3
InChIKey MGKRTFLGPPHISX-UHFFFAOYSA-N
Mol Weight 614.6 g/mol
Molecular Formula C41H27O4P
Exact Mass 614.164696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5GnrFoQPUH
Name 3,3'-Bisphenanthrol methyl phosphate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H27O4P
InChI InChI=1S/C41H27O4P/c1-43-46(42)44-40-36-30(22-20-28-16-8-10-18-32(28)36)24-34(26-12-4-2-5-13-26)38(40)39-35(27-14-6-3-7-15-27)25-31-23-21-29-17-9-11-19-33(29)37(31)41(39)45-46/h2-25H,1H3
InChIKey MGKRTFLGPPHISX-UHFFFAOYSA-N
Molecular Weight 614.637 g/mol
SMILES c12OP(Oc3c(-c2c(-c2ccccc2)cc2c1c1c(cccc1)cc2)c(cc1c3c2c(cc1)cccc2)-c1ccccc1)(=O)OC
SPLASH splash10-03xr-0000009000-bcda75b5064da5e2111e
Source of Spectrum C-118-3404-52
Wiley ID 759558