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Methyl (trans)-2-(N-acetyl-N-isopropylamino)cyclohex-3-ene-1-carboxylate

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

Methyl (trans)-2-(N-acetyl-N-isopropylamino)cyclohex-3-ene-1-carboxylate
SpectraBase Compound ID 27OQPZtE8y2
InChI InChI=1S/C13H21NO3/c1-9(2)14(10(3)15)12-8-6-5-7-11(12)13(16)17-4/h6,8-9,11-12H,5,7H2,1-4H3/t11-,12-/m1/s1
InChIKey QOZQWVWKIKNKRH-VXGBXAGGSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3rhsgsQRnU
Name Methyl (trans)-2-(N-acetyl-N-isopropylamino)cyclohex-3-ene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.152143537 u
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-9(2)14(10(3)15)12-8-6-5-7-11(12)13(16)17-4/h6,8-9,11-12H,5,7H2,1-4H3/t11-,12-/m1/s1
InChIKey QOZQWVWKIKNKRH-VXGBXAGGSA-N
Molecular Weight 239.315 g/mol
SMILES [C@]1([C@](C(=O)OC)(CCC=C1)[H])(N(C(=O)C)C(C)C)[H]