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Phthalic acid, 2-chloropropyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-chloropropyl decyl ester
SpectraBase Compound ID 8I3Eul7d6aR
InChI InChI=1S/C21H31ClO4/c1-3-4-5-6-7-8-9-12-15-25-20(23)18-13-10-11-14-19(18)21(24)26-16-17(2)22/h10-11,13-14,17H,3-9,12,15-16H2,1-2H3
InChIKey ALOSOQODVUJWTI-UHFFFAOYSA-N
Mol Weight 382.93 g/mol
Molecular Formula C21H31ClO4
Exact Mass 382.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMAbEeDjLFC
Name Phthalic acid, 2-chloropropyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.191087174 u
Formula C21H31ClO4
InChI InChI=1S/C21H31ClO4/c1-3-4-5-6-7-8-9-12-15-25-20(23)18-13-10-11-14-19(18)21(24)26-16-17(2)22/h10-11,13-14,17H,3-9,12,15-16H2,1-2H3
InChIKey ALOSOQODVUJWTI-UHFFFAOYSA-N
Molecular Weight 382.928 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCC(C)Cl)C(OCCCCCCCCCC)=O