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Polycitrin A Trimethyl ether

View entire compound with spectra: 1 MS (GC)

Polycitrin A Trimethyl ether
SpectraBase Compound ID HFEFLP5TfNl
InChI InChI=1S/C27H21Br4NO5/c1-35-17-6-4-14(5-7-17)8-9-32-26(33)22(15-10-18(28)24(36-2)19(29)11-15)23(27(32)34)16-12-20(30)25(37-3)21(31)13-16/h4-7,10-13H,8-9H2,1-3H3
InChIKey WSHYSEMOLRYUDN-UHFFFAOYSA-N
Mol Weight 759.08 g/mol
Molecular Formula C27H21Br4NO5
Exact Mass 754.815325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENq43RmxMDm
Name Polycitrin A Trimethyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21Br4NO5
InChI InChI=1S/C27H21Br4NO5/c1-35-17-6-4-14(5-7-17)8-9-32-26(33)22(15-10-18(28)24(36-2)19(29)11-15)23(27(32)34)16-12-20(30)25(37-3)21(31)13-16/h4-7,10-13H,8-9H2,1-3H3
InChIKey WSHYSEMOLRYUDN-UHFFFAOYSA-N
Molecular Weight 759.083 g/mol
SMILES C1(N(C(C(=C1c1cc(Br)c(c(c1)Br)OC)c1cc(Br)c(c(c1)Br)OC)=O)CCc1ccc(cc1)OC)=O
SPLASH splash10-001i-0900000100-b532a89e8db5946af611
Source of Spectrum F4-0-3045-3
Synonyms 3,4-bis(3,5-dibromo-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione 3,4-bis(3,5-dibromo-4-methoxy-phenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione 3,4-bis[3,5-bis(bromanyl)-4-methoxy-phenyl]-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
Wiley ID 1620612