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Succinic acid, tridec-2-yn-1-yl 2-naphthyl ester

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl 2-naphthyl ester
SpectraBase Compound ID 1TTr01puZzb
InChI InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-30-26(28)19-20-27(29)31-25-18-17-23-15-12-13-16-24(23)22-25/h12-13,15-18,22H,2-10,19-21H2,1H3
InChIKey DXNUIJNUJXTUDK-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KK7GNDuRFo
Name Succinic acid, tridec-2-yn-1-yl 2-naphthyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.245709571 u
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-30-26(28)19-20-27(29)31-25-18-17-23-15-12-13-16-24(23)22-25/h12-13,15-18,22H,2-10,19-21H2,1H3
InChIKey DXNUIJNUJXTUDK-UHFFFAOYSA-N
Molecular Weight 422.565 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC=1C=CC2=C(C1)C=CC=C2)=O