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Eseroline, heptylcarbamate(ester)

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

Eseroline, heptylcarbamate(ester)
SpectraBase Compound ID 8cdvCm1dAr7
InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)
InChIKey RRGMXBQMCUKRLH-UHFFFAOYSA-N
Mol Weight 359.5 g/mol
Molecular Formula C21H33N3O2
Exact Mass 359.257277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bd7R3t08qz
Name Eseroline, heptylcarbamate(ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.257277313 u
Formula C21H33N3O2
InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)
InChIKey RRGMXBQMCUKRLH-UHFFFAOYSA-N
Molecular Weight 359.514 g/mol
SMILES C(OC1=CC2=C(C=C1)N(C)C1C2(CCN1C)C)(=O)NCCCCCCC