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4(5)-Methoxy-3,7,10,31-tetraoxa-1,9(1,4)-dibenzena-5(2,6)-pyridinacyclohentriacontaphan-20-ene
SpectraBase Compound ID 4PTab75gF3n
InChI InChI=1S/C42H59NO5/c1-44-42-30-38-34-45-32-36-20-24-40(25-21-36)47-28-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-29-48-41-26-22-37(23-27-41)33-46-35-39(31-42)43-38/h2-3,20-27,30-31H,4-19,28-29,32-35H2,1H3/b3-2-
InChIKey PXXRAKDGEAMUPI-IHWYPQMZSA-N
Mol Weight 657.9 g/mol
Molecular Formula C42H59NO5
Exact Mass 657.439324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mipRm0jj8c
Name 4(5)-Methoxy-3,7,10,31-tetraoxa-1,9(1,4)-dibenzena-5(2,6)-pyridinacyclohentriacontaphan-20-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H59NO5
InChI InChI=1S/C42H59NO5/c1-44-42-30-38-34-45-32-36-20-24-40(25-21-36)47-28-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-29-48-41-26-22-37(23-27-41)33-46-35-39(31-42)43-38/h2-3,20-27,30-31H,4-19,28-29,32-35H2,1H3/b3-2-
InChIKey PXXRAKDGEAMUPI-IHWYPQMZSA-N
Molecular Weight 657.936 g/mol
SMILES c12nc(cc(c2)OC)COCc2ccc(OCCCCCCCCC\C=C/CCCCCCCCCOc3ccc(COC1)cc3)cc2
SPLASH splash10-0pb9-0900001000-6a03ad0f9c3beeb2f60a
Source of Spectrum U1-2010-4937-3m
Wiley ID 1664206