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Methyl 3-(1'-nitrocyclohexyl)-2-phthalomidopropanoate

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

Methyl 3-(1'-nitrocyclohexyl)-2-phthalomidopropanoate
SpectraBase Compound ID ClFtGtiP9oG
InChI InChI=1S/C18H20N2O6/c1-26-17(23)14(11-18(20(24)25)9-5-2-6-10-18)19-15(21)12-7-3-4-8-13(12)16(19)22/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKey BEDQUBBNAGQSFZ-AWEZNQCLSA-N
Mol Weight 360.37 g/mol
Molecular Formula C18H20N2O6
Exact Mass 360.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIpFd1jUrtZ
Name Methyl 3-(1'-nitrocyclohexyl)-2-phthalomidopropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.132136366 u
Formula C18H20N2O6
InChI InChI=1S/C18H20N2O6/c1-26-17(23)14(11-18(20(24)25)9-5-2-6-10-18)19-15(21)12-7-3-4-8-13(12)16(19)22/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKey BEDQUBBNAGQSFZ-AWEZNQCLSA-N
Molecular Weight 360.366 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)[C@@](CC1(N(=O)=O)CCCCC1)(C(=O)OC)[H])=O