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rel-(1R,3S,4S)-4-hydroxy-6-methoxy-1,3-dimethyl-2-benzopyran
SpectraBase Compound ID K3rmY5GxPQ
InChI InChI=1S/C12H16O3/c1-7-10-5-4-9(14-3)6-11(10)12(13)8(2)15-7/h4-8,12-13H,1-3H3/t7-,8+,12-/m1/s1
InChIKey BTLMBKIXWHVLNO-RGNHYFCHSA-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 8Jprs8Gsah
Name rel-(1R,3S,4S)-4-hydroxy-6-methoxy-1,3-dimethyl-2-benzopyran
Appearance White needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-7-10-5-4-9(14-3)6-11(10)12(13)8(2)15-7/h4-8,12-13H,1-3H3/t7-,8+,12-/m1/s1
InChIKey BTLMBKIXWHVLNO-RGNHYFCHSA-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@@]1([C@@](O[C@@](c2ccc(cc12)OC)(C)[H])(C)[H])[H]
SPLASH splash10-03dr-0900000000-6147dea5140b3412b767
Source of Spectrum ARK-2010-88-23
Wiley ID 1866830