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2-Tridecynyl phenylacetate

View entire compound with spectra: 1 MS (GC)

2-Tridecynyl phenylacetate
SpectraBase Compound ID HyNT3RZikLZ
InChI InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-23-21(22)19-20-16-13-12-14-17-20/h12-14,16-17H,2-10,18-19H2,1H3
InChIKey JMGAKRHSWMRTAM-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35NXIh3d2Vh
Name 2-Tridecynyl phenylacetate
Alternate Name(s) Phenylacetic acid, tridec-2-ynyl ester Tridec-2-ynyl 2-phenylacetate Tridec-2-ynyl 2-phenylethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-23-21(22)19-20-16-13-12-14-17-20/h12-14,16-17H,2-10,18-19H2,1H3
InChIKey JMGAKRHSWMRTAM-UHFFFAOYSA-N
Molecular Weight 314.469 g/mol
SMILES C(=O)(OCC#CCCCCCCCCCC)Cc1ccccc1
SPLASH splash10-0006-9400000000-fc301e5187e66e2ac903
Source of Spectrum NP-10-9221-0
Wiley ID 1109265