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2-Chlorobenzoic acid, dodec-9-ynyl ester
SpectraBase Compound ID 8I8JP3Mrlgp
InChI InChI=1S/C19H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2,5-10,13,16H2,1H3
InChIKey SUDQXLLPAJDXDC-UHFFFAOYSA-N
Mol Weight 320.86 g/mol
Molecular Formula C19H25ClO2
Exact Mass 320.154308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Loy9y49eMp6
Name 2-Chlorobenzoic acid, dodec-9-ynyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.154307743 u
Formula C19H25ClO2
InChI InChI=1S/C19H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2,5-10,13,16H2,1H3
InChIKey SUDQXLLPAJDXDC-UHFFFAOYSA-N
Molecular Weight 320.860 g/mol
SMILES C(OCCCCCCCCC#CCC)(=O)C=1C=CC=CC1Cl