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1-(4'-O-Acetyl-2',3',6'-trideoxy-.alpha.D-erythro-hex-2'-enopyranosyl)-2-phenylethyne
SpectraBase Compound ID 76hC1ATCVOc
InChI InChI=1S/C16H16O3/c1-12-16(19-13(2)17)11-10-15(18-12)9-8-14-6-4-3-5-7-14/h3-7,10-12,15-16H,1-2H3/t12-,15?,16-/m1/s1
InChIKey NYOUFNFTQSPPPH-IATLWXBXSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZUAWO8rwGo
Name 1-(4'-O-Acetyl-2',3',6'-trideoxy-.alpha.D-erythro-hex-2'-enopyranosyl)-2-phenylethyne
Alternate Name(s) Acetic acid (2R,3R)-2-methyl-6-phenylethynyl-3,6-dihydro-2H-pyran-3-yl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-12-16(19-13(2)17)11-10-15(18-12)9-8-14-6-4-3-5-7-14/h3-7,10-12,15-16H,1-2H3/t12-,15?,16-/m1/s1
InChIKey NYOUFNFTQSPPPH-IATLWXBXSA-N
Molecular Weight 256.301 g/mol
SMILES C(#Cc1ccccc1)C1O[C@](C)([C@@](C=C1)(OC(=O)C)[H])[H]
SPLASH splash10-0002-0900000000-37fb637e00b8d9fc6436
Source of Spectrum F4-38-335-3d
Wiley ID 1669875