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Chenabine

View entire compound with spectra: 1 MS (GC)

Chenabine
SpectraBase Compound ID 19RLUv0DNVy
InChI InChI=1S/C37H40N2O7/c1-38-14-12-26-19-35(43-4)37(44-5)36(29(26)21-38)46-34-20-28-25(18-33(34)42-3)13-15-39(2)30(28)16-23-6-9-27(10-7-23)45-32-17-24(22-40)8-11-31(32)41/h6-11,17-20,22,30,41H,12-16,21H2,1-5H3/t30-/m0/s1
InChIKey YNXVQRIVDJCIEA-PMERELPUSA-N
Mol Weight 624.7 g/mol
Molecular Formula C37H40N2O7
Exact Mass 624.283552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4B4cuIjjwlO
Name Chenabine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O7
InChI InChI=1S/C37H40N2O7/c1-38-14-12-26-19-35(43-4)37(44-5)36(29(26)21-38)46-34-20-28-25(18-33(34)42-3)13-15-39(2)30(28)16-23-6-9-27(10-7-23)45-32-17-24(22-40)8-11-31(32)41/h6-11,17-20,22,30,41H,12-16,21H2,1-5H3/t30-/m0/s1
InChIKey YNXVQRIVDJCIEA-PMERELPUSA-N
Molecular Weight 624.734 g/mol
SMILES Oc1c(Oc2ccc(C[C@]3(c4cc(Oc5c6c(CCN(C6)C)cc(c5OC)OC)c(cc4CCN3C)OC)[H])cc2)cc(C=O)cc1
SPLASH splash10-0002-0009000000-1f56787446c9859c91b2
Source of Spectrum X2-50-559-258
Wiley ID 1602353