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1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(butoxycarbonyl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(butoxycarbonyl)-
SpectraBase Compound ID 75L9dRozSzv
InChI InChI=1S/C22H26O5/c1-3-5-9-17-12-14-18(15-13-17)21(23)26-19-10-7-8-11-20(19)27-22(24)25-16-6-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3
InChIKey NSFVCIXNZSTHOB-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSpNqBSYcUu
Name 1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(butoxycarbonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-3-5-9-17-12-14-18(15-13-17)21(23)26-19-10-7-8-11-20(19)27-22(24)25-16-6-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3
InChIKey NSFVCIXNZSTHOB-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES CCCCC=1C=CC(C(OC2=CC=CC=C2OC(OCCCC)=O)=O)=CC1