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Terbutaline artifact 2ME

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

Terbutaline artifact 2ME
SpectraBase Compound ID 7ysyXevAnmg
InChI InChI=1S/C16H27NO2/c1-12(11-17(5)16(2,3)4)13-9-8-10-14(18-6)15(13)19-7/h8-10,12H,11H2,1-7H3
InChIKey BMYMPFJYVJBHTN-UHFFFAOYSA-N
Mol Weight 265.4 g/mol
Molecular Formula C16H27NO2
Exact Mass 265.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2G9j8jeUGXS
Name Terbutaline artifact 2me P691
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.204179111 u
Formula C16H27NO2
InChI InChI=1S/C16H27NO2/c1-12(11-17(5)16(2,3)4)13-9-8-10-14(18-6)15(13)19-7/h8-10,12H,11H2,1-7H3
InChIKey BMYMPFJYVJBHTN-UHFFFAOYSA-N
Molecular Weight 265.397 g/mol
SMILES C1=CC(=C(OC)C(OC)=C1)C(C)CN(C(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855775