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(2S*,3R*)-3-Bemzyloxymethyl-3-hydroxy-2-methyloxepane

View entire compound with spectra: 1 MS (GC)

(2S*,3R*)-3-Bemzyloxymethyl-3-hydroxy-2-methyloxepane
SpectraBase Compound ID A5P5PDRsugX
InChI InChI=1S/C15H22O3/c1-13-15(16,9-5-6-10-18-13)12-17-11-14-7-3-2-4-8-14/h2-4,7-8,13,16H,5-6,9-12H2,1H3/t13-,15+/m0/s1
InChIKey KCDRJVWAICYOAI-DZGCQCFKSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXa5TEeUQIe
Name (2S*,3R*)-3-Bemzyloxymethyl-3-hydroxy-2-methyloxepane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-13-15(16,9-5-6-10-18-13)12-17-11-14-7-3-2-4-8-14/h2-4,7-8,13,16H,5-6,9-12H2,1H3/t13-,15+/m0/s1
InChIKey KCDRJVWAICYOAI-DZGCQCFKSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@@]1([C@@](OCCCC1)(C)[H])COCc1ccccc1
SPLASH splash10-0006-9000000000-e410edb3b2f73a789ec6
Source of Spectrum F-56-1076-30
Synonyms (2S,3R)-2-methyl-3-(phenylmethoxymethyl)-3-oxepanol (2S,3R)-3-(benzyloxymethyl)-2-methyl-oxepan-3-ol (2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxepan-3-ol
Wiley ID 855883