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13A-Acetoxylupanine

View entire compound with spectra: 1 NMR, and 1 FTIR

13A-Acetoxylupanine
SpectraBase Compound ID IP7CLs5GJct
InChI InChI=1S/C17H26N2O3/c1-11(20)22-14-5-6-18-9-12-7-13(16(18)8-14)10-19-15(12)3-2-4-17(19)21/h12-16H,2-10H2,1H3
InChIKey ZFTSMQKTSQDNDJ-UHFFFAOYSA-N
Mol Weight 306.41 g/mol
Molecular Formula C17H26N2O3
Exact Mass 306.194343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FqGa2J40LgC
Name 13A-Acetoxylupanine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.194342702 u
Formula C17H26N2O3
InChI InChI=1S/C17H26N2O3/c1-11(20)22-14-5-6-18-9-12-7-13(16(18)8-14)10-19-15(12)3-2-4-17(19)21/h12-16H,2-10H2,1H3
InChIKey ZFTSMQKTSQDNDJ-UHFFFAOYSA-N
Molecular Weight 306.406 g/mol
SMILES C1C2CN3C(C1CN1C2CC(CC1)OC(C)=O)CCCC3=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899019