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13-Ethyltetrahydroberberine

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

13-Ethyltetrahydroberberine
SpectraBase Compound ID HbAlbG4as1E
InChI InChI=1S/C22H25NO4/c1-4-14-15-5-6-18(24-2)22(25-3)17(15)11-23-8-7-13-9-19-20(27-12-26-19)10-16(13)21(14)23/h5-6,9-10,14,21H,4,7-8,11-12H2,1-3H3/t14-,21+/m0/s1
InChIKey OMQVKHLKFUWFAR-LHSJRXKWSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FEkXpgXRkUM
Name 13-Ethyltetrahydroberberine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.178358285 u
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c1-4-14-15-5-6-18(24-2)22(25-3)17(15)11-23-8-7-13-9-19-20(27-12-26-19)10-16(13)21(14)23/h5-6,9-10,14,21H,4,7-8,11-12H2,1-3H3/t14-,21+/m0/s1
InChIKey OMQVKHLKFUWFAR-LHSJRXKWSA-N
Molecular Weight 367.445 g/mol
SMILES [C@]12(N(CCC3=CC=4OCOC4C=C23)CC2=C([C@@]1(CC)[H])C=CC(=C2OC)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809978