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Propyl 2-[(2-ethylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Propyl 2-[(2-ethylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 75gInws4MXd
InChI InChI=1S/C18H27NO3S/c1-4-11-22-18(21)15-13-9-7-8-10-14(13)23-17(15)19-16(20)12(5-2)6-3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKey AHJMBTYKEMWYBV-UHFFFAOYSA-N
Mol Weight 337.48 g/mol
Molecular Formula C18H27NO3S
Exact Mass 337.171165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1K4YslqJ4vG
Name Propyl 2-[(2-ethylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.171164904 u
Formula C18H27NO3S
InChI InChI=1S/C18H27NO3S/c1-4-11-22-18(21)15-13-9-7-8-10-14(13)23-17(15)19-16(20)12(5-2)6-3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKey AHJMBTYKEMWYBV-UHFFFAOYSA-N
Molecular Weight 337.478 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCCC)C(=O)C(CC)CC