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But-2-yn-1-yl 4-methylbenzoate
SpectraBase Compound ID 65cQB8WmyQ5
InChI InChI=1S/C12H12O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3
InChIKey UZABXGZWZKUWQS-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Kt1LB9z5jA
Name But-2-yn-1-yl 4-methylbenzoate
Alternate Name(s) But-2-ynyl 4-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3
InChIKey UZABXGZWZKUWQS-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc01370k
Molecular Weight 188.226 g/mol
SMILES c1cc(C(OCC#CC)=O)ccc1C
SPLASH splash10-014r-0900000000-c4f3f4f59734e569430e
Source of Spectrum KD-50-7243/SM-1
Wiley ID 1754558