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tert-Butyl 2-Hex-3-oxodec-4-ynoate

View entire compound with spectra: 2 MS (GC)

tert-Butyl 2-Hex-3-oxodec-4-ynoate
SpectraBase Compound ID CqMW0JPT19R
InChI InChI=1S/C20H34O3/c1-6-8-10-12-14-16-18(21)17(15-13-11-9-7-2)19(22)23-20(3,4)5/h17H,6-13,15H2,1-5H3
InChIKey CXKMSQFFHKXKSD-UHFFFAOYSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fpp6sUAPf2
Name tert-Butyl 2-hexyl-3-oxodec-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-6-8-10-12-14-16-18(21)17(15-13-11-9-7-2)19(22)23-20(3,4)5/h17H,6-13,15H2,1-5H3
InChIKey CXKMSQFFHKXKSD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201203180
Molecular Weight 322.489 g/mol
SMILES C(C(=O)C(CCCCCC)C(=O)OC(C)(C)C)#CCCCCC
SPLASH splash10-0601-9530000000-8fc0110b65500d174ecc
Source of Spectrum ACI-51-SMS2-6g
Wiley ID 1780392