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N,O,O-trimethyl-pycnazanthine

View entire compound with spectra: 1 MS (GC)

N,O,O-trimethyl-pycnazanthine
SpectraBase Compound ID 4pXQnlcmdpN
InChI InChI=1S/C37H36N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-12,14,18-21,29H,13,15-17H2,1-5H3
InChIKey HNVBELZBXRRAQI-UHFFFAOYSA-N
Mol Weight 604.7 g/mol
Molecular Formula C37H36N2O6
Exact Mass 604.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1NTiRIhrsm
Name N,O,O-trimethyl-pycnazanthine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H36N2O6
InChI InChI=1S/C37H36N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-12,14,18-21,29H,13,15-17H2,1-5H3
InChIKey HNVBELZBXRRAQI-UHFFFAOYSA-N
Molecular Weight 604.703 g/mol
SMILES c12Oc3cc4C(N(C)CCc4cc3OC)Cc3cc(Oc4ccc(Cc5c2c(ccn5)cc(c1OC)OC)cc4)c(OC)cc3
SPLASH splash10-0udi-0100029000-a256e63c0f775077449b
Source of Spectrum X2-50-379-10
Wiley ID 1602226