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(1S)-1-(3-Benzoyloxymethylphenyl)-3-butyn-1-ol
SpectraBase Compound ID GSKHSpmA0SQ
InChI InChI=1S/C18H16O3/c1-2-7-17(19)16-11-6-8-14(12-16)13-21-18(20)15-9-4-3-5-10-15/h1,3-6,8-12,17,19H,7,13H2/t17-/m0/s1
InChIKey GXYVSNHTXLXNKW-KRWDZBQOSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fvkv8FQmQfE
Name (1S)-1-(3-Benzoyloxymethylphenyl)-3-butyn-1-ol
Alternate Name(s) 3-[(1S)-1-hydroxy-3-butynyl]benzyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-2-7-17(19)16-11-6-8-14(12-16)13-21-18(20)15-9-4-3-5-10-15/h1,3-6,8-12,17,19H,7,13H2/t17-/m0/s1
InChIKey GXYVSNHTXLXNKW-KRWDZBQOSA-N
Molecular Weight 280.323 g/mol
SMILES O[C@@](CC#C)(c1cc(ccc1)COC(c1ccccc1)=O)[H]
SPLASH splash10-00e9-9170000000-219ed154b1c3aa7182a4
Source of Spectrum KC-61-2617-28
Wiley ID 1628150