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Methyl (trans)-2-(N-propionyl-N-isopropylamino)cyclohex-3-ene-1-carboxylate
SpectraBase Compound ID EssUIFUgBfN
InChI InChI=1S/C14H23NO3/c1-5-13(16)15(10(2)3)12-9-7-6-8-11(12)14(17)18-4/h7,9-12H,5-6,8H2,1-4H3/t11-,12-/m1/s1
InChIKey JIQXRNOPUZXVKH-VXGBXAGGSA-N
Mol Weight 253.34 g/mol
Molecular Formula C14H23NO3
Exact Mass 253.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eI9uGclODQ
Name Methyl (trans)-2-(N-propionyl-N-isopropylamino)cyclohex-3-ene-1-carboxylate
Alternate Name(s) Methyl (1R,2R)-2-[isopropyl(propionyl)amino]-3-cyclohexene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NO3
InChI InChI=1S/C14H23NO3/c1-5-13(16)15(10(2)3)12-9-7-6-8-11(12)14(17)18-4/h7,9-12H,5-6,8H2,1-4H3/t11-,12-/m1/s1
InChIKey JIQXRNOPUZXVKH-VXGBXAGGSA-N
Molecular Weight 253.342 g/mol
SMILES [C@]1([C@](C(=O)OC)(CCC=C1)[H])(N(C(=O)CC)C(C)C)[H]
SPLASH splash10-0f6t-4900000000-03badd736eb0e510c54c
Source of Spectrum E2-47-239-0
Wiley ID 1520269