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Heteropsine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Heteropsine
SpectraBase Compound ID IettH3WHWY3
InChI InChI=1S/C35H28N2O4/c1-38-24-15-18-11-13-36-32-26(18)30(34(24)39-2)22-9-5-3-7-20(22)28(32)29-21-8-4-6-10-23(21)31-27-19(12-14-37-33(27)29)16-25-35(31)41-17-40-25/h3-10,15-16,36-37H,11-14,17H2,1-2H3
InChIKey RUQINKCOJMAFCG-UHFFFAOYSA-N
Mol Weight 540.6 g/mol
Molecular Formula C35H28N2O4
Exact Mass 540.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BfifjzhT4X
Name Heteropsine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H28N2O4
InChI InChI=1S/C35H28N2O4/c1-38-24-15-18-11-13-36-32-26(18)30(34(24)39-2)22-9-5-3-7-20(22)28(32)29-21-8-4-6-10-23(21)31-27-19(12-14-37-33(27)29)16-25-35(31)41-17-40-25/h3-10,15-16,36-37H,11-14,17H2,1-2H3
InChIKey RUQINKCOJMAFCG-UHFFFAOYSA-N
Molecular Weight 540.619 g/mol
SMILES N1CCc2c3c1c(-c1c4c5c(cc6c(c5c5c1cccc5)OCO6)CCN4)c1c(c3c(c(c2)OC)OC)cccc1
SPLASH splash10-03dl-0090030000-a327c1cd5861d81baae5
Source of Spectrum X2-51-1042-92
Wiley ID 1602887