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Phthalic acid, cyclohexylmethyl 2-nitrophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl 2-nitrophenyl ester
SpectraBase Compound ID IQOLZM2DEpC
InChI InChI=1S/C21H21NO6/c23-20(27-14-15-8-2-1-3-9-15)16-10-4-5-11-17(16)21(24)28-19-13-7-6-12-18(19)22(25)26/h4-7,10-13,15H,1-3,8-9,14H2
InChIKey ONPSBXQYILZQMQ-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C21H21NO6
Exact Mass 383.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uz46R2CdYd
Name Phthalic acid, cyclohexylmethyl 2-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.136887394 u
Formula C21H21NO6
InChI InChI=1S/C21H21NO6/c23-20(27-14-15-8-2-1-3-9-15)16-10-4-5-11-17(16)21(24)28-19-13-7-6-12-18(19)22(25)26/h4-7,10-13,15H,1-3,8-9,14H2
InChIKey ONPSBXQYILZQMQ-UHFFFAOYSA-N
Molecular Weight 383.400 g/mol
SMILES C1(=C(C=CC=C1)C(OCC1CCCCC1)=O)C(OC1=CC=CC=C1N(=O)=O)=O