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Phthalic acid, hexyl 7-methyloct-3-yn-5-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 7-methyloct-3-yn-5-yl ester
SpectraBase Compound ID CRxSfJHvIvZ
InChI InChI=1S/C23H32O4/c1-5-7-9-12-16-26-22(24)20-14-10-11-15-21(20)23(25)27-19(13-8-6-2)17-18(3)4/h10-11,14-15,18-19H,5-7,9,12,16-17H2,1-4H3
InChIKey DGVLIGSGZMKOQL-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wFAshKtT5o
Name Phthalic acid, hexyl 7-methyloct-3-yn-5-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.230059506 u
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-5-7-9-12-16-26-22(24)20-14-10-11-15-21(20)23(25)27-19(13-8-6-2)17-18(3)4/h10-11,14-15,18-19H,5-7,9,12,16-17H2,1-4H3
InChIKey DGVLIGSGZMKOQL-UHFFFAOYSA-N
Molecular Weight 372.505 g/mol
SMILES C(OC(CC(C)C)C#CCC)(=O)C1=C(C=CC=C1)C(OCCCCCC)=O