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rel-(1S,3R,4S)-4-Hydroxy-6-methoxy-1,3-dimethyl-2-benzopyran-5,8-dione
SpectraBase Compound ID 68tkVRQHu8b
InChI InChI=1S/C12H14O5/c1-5-9-7(13)4-8(16-3)12(15)10(9)11(14)6(2)17-5/h4-6,11,14H,1-3H3/t5-,6+,11+/m0/s1
InChIKey OUQPTAWGWUVPMJ-WGDKSQQYSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JWW6UAY2xc
Name rel-(1S,3R,4S)-4-Hydroxy-6-methoxy-1,3-dimethyl-2-benzopyran-5,8-dione
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-5-9-7(13)4-8(16-3)12(15)10(9)11(14)6(2)17-5/h4-6,11,14H,1-3H3/t5-,6+,11+/m0/s1
InChIKey OUQPTAWGWUVPMJ-WGDKSQQYSA-N
Instrument Name Finnigan-MAT GCQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.206
Molecular Weight 238.239 g/mol
SMILES O[C@@]1([C@](O[C@](C=2C(C=C(C(C12)=O)OC)=O)(C)[H])(C)[H])[H]
SPLASH splash10-0gbc-0900000000-ca9d156e7a2fc693d33a
Source of Spectrum ARK-2010-95-51
Wiley ID 1866854