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(1-Acetyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate

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

(1-Acetyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate
SpectraBase Compound ID 5NSjVFLEUbj
InChI InChI=1S/C17H19NO5/c1-11-8-9-17(13(3)19,10-12(11)2)23-16(20)14-4-6-15(7-5-14)18(21)22/h4-7H,8-10H2,1-3H3/t17-/m1/s1
InChIKey JUHCGWSEIUSUID-QGZVFWFLSA-N
Mol Weight 317.34 g/mol
Molecular Formula C17H19NO5
Exact Mass 317.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Q8dssrezew
Name (1-Acetyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.126322711 u
Formula C17H19NO5
InChI InChI=1S/C17H19NO5/c1-11-8-9-17(13(3)19,10-12(11)2)23-16(20)14-4-6-15(7-5-14)18(21)22/h4-7H,8-10H2,1-3H3/t17-/m1/s1
InChIKey JUHCGWSEIUSUID-QGZVFWFLSA-N
Molecular Weight 317.341 g/mol
SMILES C1(N(=O)=O)=CC=C(C(O[C@]2(CC(C)=C(CC2)C)C(=O)C)=O)C=C1