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4-Hydroxymethyl-2-[(3'E)-2'-methoxyhept-3'-en-5'-yn-1'-yl]-1,3-oxazole
SpectraBase Compound ID 96MMk4EtkEX
InChI InChI=1S/C12H15NO3/c1-3-4-5-6-11(15-2)7-12-13-10(8-14)9-16-12/h5-6,9,11,14H,7-8H2,1-2H3/b6-5+
InChIKey LMMLNFBRQOJHNJ-AATRIKPKSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKEJbNVmuTj
Name 4-Hydroxymethyl-2-[(3'E)-2'-methoxyhept-3'-en-5'-yn-1'-yl]-1,3-oxazole
Alternate Name(s) (E)-(2-(2-methoxyhept-3-en-5-yn-1-yl)oxazol-4-yl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-3-4-5-6-11(15-2)7-12-13-10(8-14)9-16-12/h5-6,9,11,14H,7-8H2,1-2H3/b6-5+
InChIKey LMMLNFBRQOJHNJ-AATRIKPKSA-N
Literature Reference DOI 10.1002/anie.201501922
Molecular Weight 221.256 g/mol
SMILES OCc1coc(n1)CC(OC)\C=C\C#CC
SPLASH splash10-0a4i-0910000000-fd3d28f1283ca1493db4
Source of Spectrum ACI-54-7086/SMS3-S1
Wiley ID 1761229