SpectraBase Compound ID | 8I8JP3Mrlgp |
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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 |
SpectraBase Spectrum ID | Loy9y49eMp6 |
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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 |