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9-Dodecynyl phenylacetate

View entire compound with spectra: 1 MS (GC)

9-Dodecynyl phenylacetate
SpectraBase Compound ID KifUhruaDYh
InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-14-17-22-20(21)18-19-15-12-11-13-16-19/h11-13,15-16H,2,5-10,14,17-18H2,1H3
InChIKey RNQMVXLHPFCXCY-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kyik1wB6cSX
Name 9-Dodecynyl phenylacetate
Alternate Name(s) Phenylacetic acid, dodec-9-ynyl ester Dodec-9-ynyl 2-phenylacetate Dodec-9-ynyl 2-phenylethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-14-17-22-20(21)18-19-15-12-11-13-16-19/h11-13,15-16H,2,5-10,14,17-18H2,1H3
InChIKey RNQMVXLHPFCXCY-UHFFFAOYSA-N
Molecular Weight 300.442 g/mol
SMILES C(CCCC#CCC)CCCCOC(Cc1ccccc1)=O
SPLASH splash10-00kf-9000000000-fb58ca1891aadf719a08
Source of Spectrum NP-10-1280-0
Wiley ID 1108674