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methyl 4-but-3-en-1-ynylbenzoate
SpectraBase Compound ID C5siFm69MwN
InChI InChI=1S/C12H10O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h3,6-9H,1H2,2H3
InChIKey VNIASVLLNFJVGM-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C12H10O2
Exact Mass 186.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZTbVF3ncIE
Name methyl 4-but-3-en-1-ynylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O2
InChI InChI=1S/C12H10O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h3,6-9H,1H2,2H3
InChIKey VNIASVLLNFJVGM-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202421
Molecular Weight 186.210 g/mol
Quality 205
Reported Formula C12H10O2
SMILES C(#CC=C)C1=CC=C(C=C1)C(OC)=O
SPLASH splash10-0a4r-0900000000-a76697a65a46b63b4f23
Source of Spectrum QE-28-SM15-3c (DOI: 10.1002/chem.202202421)
Wiley ID 1900759