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1,2-Benzenediol, o-(octanoyl)-o'-(4-nitrobenzoyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(octanoyl)-o'-(4-nitrobenzoyl)-
SpectraBase Compound ID 4RJiunX3CZp
InChI InChI=1S/C21H23NO6/c1-2-3-4-5-6-11-20(23)27-18-9-7-8-10-19(18)28-21(24)16-12-14-17(15-13-16)22(25)26/h7-10,12-15H,2-6,11H2,1H3
InChIKey QDQVVYBBYOCLIC-UHFFFAOYSA-N
Mol Weight 385.42 g/mol
Molecular Formula C21H23NO6
Exact Mass 385.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZEvbuiMAZ3
Name 1,2-Benzenediol, o-(octanoyl)-o'-(4-nitrobenzoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 385.152537459 u
Formula C21H23NO6
InChI InChI=1S/C21H23NO6/c1-2-3-4-5-6-11-20(23)27-18-9-7-8-10-19(18)28-21(24)16-12-14-17(15-13-16)22(25)26/h7-10,12-15H,2-6,11H2,1H3
InChIKey QDQVVYBBYOCLIC-UHFFFAOYSA-N
Molecular Weight 385.416 g/mol
SMILES C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)N(=O)=O)OC(=O)CCCCCCC