For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

10-[3'-(2",5"-Dihydroxyphenyl)propyl]-3,7,8-trimethylisoalloxazine

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

10-[3'-(2",5"-Dihydroxyphenyl)propyl]-3,7,8-trimethylisoalloxazine
SpectraBase Compound ID Flp5UsiRNl9
InChI InChI=1S/C22H22N4O4/c1-12-9-16-17(10-13(12)2)26(8-4-5-14-11-15(27)6-7-18(14)28)20-19(23-16)21(29)25(3)22(30)24-20/h6-7,9-11,27-28H,4-5,8H2,1-3H3
InChIKey CNXZYMBQVHNRBB-UHFFFAOYSA-N
Mol Weight 406.44 g/mol
Molecular Formula C22H22N4O4
Exact Mass 406.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4wL3gMf2mtJ
Name 10-[3'-(2'',5''-Dihydroxyphenyl)propyl]-3,7,8-trimethylisoalloxazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.164105200 u
Formula C22H22N4O4
InChI InChI=1S/C22H22N4O4/c1-12-9-16-17(10-13(12)2)26(8-4-5-14-11-15(27)6-7-18(14)28)20-19(23-16)21(29)25(3)22(30)24-20/h6-7,9-11,27-28H,4-5,8H2,1-3H3
InChIKey CNXZYMBQVHNRBB-UHFFFAOYSA-N
Molecular Weight 406.442 g/mol
SMILES C=12C(=NC(N(C2=O)C)=O)N(CCCC=2C(=CC=C(C2)O)O)C2=C(N1)C=C(C(C)=C2)C