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3-(2H-1,3-benzodioxol-5-ylmethyl)-1-(9H-xanthen-9-yl)urea

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3-(2H-1,3-benzodioxol-5-ylmethyl)-1-(9H-xanthen-9-yl)urea
SpectraBase Compound ID H35gnKKT1se
InChI InChI=1S/C22H18N2O4/c25-22(23-12-14-9-10-19-20(11-14)27-13-26-19)24-21-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)21/h1-11,21H,12-13H2,(H2,23,24,25)
InChIKey VCRGUIIMXLRDNX-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C22H18N2O4
Exact Mass 374.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KOaulGD0Zd
Name 3-(2H-1,3-Benzodioxol-5-ylmethyl)-1-(9H-xanthen-9-yl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.126657064 u
Formula C22H18N2O4
InChI InChI=1S/C22H18N2O4/c25-22(23-12-14-9-10-19-20(11-14)27-13-26-19)24-21-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)21/h1-11,21H,12-13H2,(H2,23,24,25)
InChIKey VCRGUIIMXLRDNX-UHFFFAOYSA-N
Molecular Weight 374.396 g/mol
SMILES C1(C=2C(=CC=CC2)OC2=C1C=CC=C2)NC(NCC=1C=C2OCOC2=CC1)=O