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Glutaric acid, cyclohexylmethyl 2-nitrophenyl ester
SpectraBase Compound ID AHss9H8LJGP
InChI InChI=1S/C18H23NO6/c20-17(24-13-14-7-2-1-3-8-14)11-6-12-18(21)25-16-10-5-4-9-15(16)19(22)23/h4-5,9-10,14H,1-3,6-8,11-13H2
InChIKey IQVDFPJMDOUWMK-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C18H23NO6
Exact Mass 349.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjkzFE71tOe
Name Glutaric acid, cyclohexylmethyl 2-nitrophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.152537459 u
Formula C18H23NO6
InChI InChI=1S/C18H23NO6/c20-17(24-13-14-7-2-1-3-8-14)11-6-12-18(21)25-16-10-5-4-9-15(16)19(22)23/h4-5,9-10,14H,1-3,6-8,11-13H2
InChIKey IQVDFPJMDOUWMK-UHFFFAOYSA-N
Molecular Weight 349.383 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OC=1C=CC=CC1N(=O)=O)=O