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4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-5'-methyl-spiro[3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene-2,8'-7,9-dioxa-8-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-4-yl]vinyl]-2-methoxy-phenol
SpectraBase Compound ID 3hvNhO0FYON
InChI InChI=1S/C28H25BO8/c1-18-5-4-6-25-28(18)37-29(36-25)34-21(11-7-19-9-13-23(30)26(15-19)32-2)17-22(35-29)12-8-20-10-14-24(31)27(16-20)33-3/h4-17,30-31H,1-3H3/b11-7+,12-8+
InChIKey RWDYPOZCKSJTSE-MKICQXMISA-N
Mol Weight 500.3 g/mol
Molecular Formula C28H25BO8
Exact Mass 500.164248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsqpWhvLyyE
Name 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-5'-methyl-spiro[3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene-2,8'-7,9-dioxa-8-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-4-yl]vinyl]-2-methoxy-phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25BO8
InChI InChI=1S/C28H25BO8/c1-18-5-4-6-25-28(18)37-29(36-25)34-21(11-7-19-9-13-23(30)26(15-19)32-2)17-22(35-29)12-8-20-10-14-24(31)27(16-20)33-3/h4-17,30-31H,1-3H3/b11-7+,12-8+
InChIKey RWDYPOZCKSJTSE-MKICQXMISA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.d01
Molecular Weight 500.310 g/mol
SMILES Oc1c(cc(\C=C\C2=[O+][B-]3(OC(\C=C\c4ccc(c(c4)OC)O)=C2)Oc2c(O3)cccc2C)cc1)OC
SPLASH splash10-0udi-0902140000-47cf11fe8705cbc38066
Source of Spectrum ARK-2008-7-10b
Wiley ID 1869057