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25D-Nbome, N-(acetyl)

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25D-Nbome, N-(acetyl)
SpectraBase Compound ID 4VGw7puTmwW
InChI InChI=1S/C21H27NO4/c1-15-12-21(26-5)17(13-20(15)25-4)10-11-22(16(2)23)14-18-8-6-7-9-19(18)24-3/h6-9,12-13H,10-11,14H2,1-5H3
InChIKey RADNANMKFRVZGK-UHFFFAOYSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H27NO4
Exact Mass 357.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Emtk4RgrfeC
Name 25D-Nbome, N-(acetyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.194008349 u
Formula C21H27NO4
InChI InChI=1S/C21H27NO4/c1-15-12-21(26-5)17(13-20(15)25-4)10-11-22(16(2)23)14-18-8-6-7-9-19(18)24-3/h6-9,12-13H,10-11,14H2,1-5H3
InChIKey RADNANMKFRVZGK-UHFFFAOYSA-N
Molecular Weight 357.450 g/mol
SMILES CC1=CC(=C(C=C1OC)CCN(CC1=CC=CC=C1OC)C(C)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962938