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cp 2bu

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

cp 2bu
SpectraBase Compound ID ABonQtrhVTv
InChI InChI=1S/C21H35NO3/c1-5-7-12-22(13-8-6-2)14-11-17-15-19(23-3)21(20(16-17)24-4)25-18-9-10-18/h15-16,18H,5-14H2,1-4H3
InChIKey YFWRSRHZOPLINM-UHFFFAOYSA-N
Mol Weight 349.5 g/mol
Molecular Formula C21H35NO3
Exact Mass 349.261694 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CQBmB8fFWiI
Name cp 2bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.261693988 u
Formula C21H35NO3
InChI InChI=1S/C21H35NO3/c1-5-7-12-22(13-8-6-2)14-11-17-15-19(23-3)21(20(16-17)24-4)25-18-9-10-18/h15-16,18H,5-14H2,1-4H3
InChIKey YFWRSRHZOPLINM-UHFFFAOYSA-N
Molecular Weight 349.515 g/mol
SMILES C1(=C(C=C(C=C1OC)CCN(CCCC)CCCC)OC)OC1CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899696