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Glutaric acid, naphth-2-ylmethyl 2-isopropoxyphenyl ester
SpectraBase Compound ID ACqjjlpsyV6
InChI InChI=1S/C25H26O5/c1-18(2)29-22-10-5-6-11-23(22)30-25(27)13-7-12-24(26)28-17-19-14-15-20-8-3-4-9-21(20)16-19/h3-6,8-11,14-16,18H,7,12-13,17H2,1-2H3
InChIKey KXCPNAZEFRRTAY-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C25H26O5
Exact Mass 406.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Drx43Ckxvcy
Name Glutaric acid, naphth-2-ylmethyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.178023932 u
Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-18(2)29-22-10-5-6-11-23(22)30-25(27)13-7-12-24(26)28-17-19-14-15-20-8-3-4-9-21(20)16-19/h3-6,8-11,14-16,18H,7,12-13,17H2,1-2H3
InChIKey KXCPNAZEFRRTAY-UHFFFAOYSA-N
Molecular Weight 406.478 g/mol
SMILES C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC=1C(=CC=CC1)OC(C)C)=O