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Ethaverine-M (O-deethyl-HO-) 2AC
SpectraBase Compound ID 1Bd73kbcJvo
InChI InChI=1S/C26H29NO7/c1-6-30-22-15-20-19(14-23(22)33-16(4)28)9-10-27-21(20)11-18-12-24(31-7-2)26(32-8-3)25(13-18)34-17(5)29/h9-10,12-15H,6-8,11H2,1-5H3
InChIKey GQZKISYHGWEAJO-UHFFFAOYSA-N
Mol Weight 467.52 g/mol
Molecular Formula C26H29NO7
Exact Mass 467.194402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByJhLrLloOK
Name Ethaverine-m (o-deethyl-ho-) 2ac P1612
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.194402271 u
Formula C26H29NO7
InChI InChI=1S/C26H29NO7/c1-6-30-22-15-20-19(14-23(22)33-16(4)28)9-10-27-21(20)11-18-12-24(31-7-2)26(32-8-3)25(13-18)34-17(5)29/h9-10,12-15H,6-8,11H2,1-5H3
InChIKey GQZKISYHGWEAJO-UHFFFAOYSA-N
Molecular Weight 467.518 g/mol
SMILES C=1C2=CC=NC(CC3=CC(=C(OCC)C(=C3)OCC)OC(C)=O)=C2C=C(OCC)C1OC(C)=O