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rel-(1R,1'S,3S)-1-(1'-Hydroxyethyl)-6-methoxy-3-methyl-1,3-dihydroisobenzofuran
SpectraBase Compound ID 9h6FRzxK6mA
InChI InChI=1S/C12H16O3/c1-7(13)12-11-6-9(14-3)4-5-10(11)8(2)15-12/h4-8,12-13H,1-3H3/t7-,8-,12-/m0/s1
InChIKey KYENDZCTKZLCPZ-UBJUHAIHSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lzfuaWk3N8
Name rel-(1R,1'S,3S)-1-(1'-Hydroxyethyl)-6-methoxy-3-methyl-1,3-dihydroisobenzofuran
Appearance Light pale olive-colored oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-7(13)12-11-6-9(14-3)4-5-10(11)8(2)15-12/h4-8,12-13H,1-3H3/t7-,8-,12-/m0/s1
InChIKey KYENDZCTKZLCPZ-UBJUHAIHSA-N
Instrument Name Finnigan-MAT GCQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.206
Molecular Weight 208.257 g/mol
SMILES O[C@]([C@]1(c2c(ccc(c2)OC)[C@@](O1)(C)[H])[H])(C)[H]
SPLASH splash10-03k9-0900000000-e043fe57b6a5959e62ee
Source of Spectrum ARK-2010-89-26
Wiley ID 1866833