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2H-1-Benzopyran-4a(7H)-carboxylic acid, 3,4,8,8a-tetrahydro-8a-hydroxy-5-methoxy-2-methyl-, methyl ester
SpectraBase Compound ID LU8RUZTwg0m
InChI InChI=1S/C13H20O5/c1-9-6-8-12(11(14)17-3)10(16-2)5-4-7-13(12,15)18-9/h5,9,15H,4,6-8H2,1-3H3
InChIKey BFEXBKIAMGPNLG-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vuyFoLRY4n
Name 2H-1-Benzopyran-4a(7H)-carboxylic acid, 3,4,8,8a-tetrahydro-8a-hydroxy-5-methoxy-2-methyl-, methyl ester
CAS Registry Number 108161-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-9-6-8-12(11(14)17-3)10(16-2)5-4-7-13(12,15)18-9/h5,9,15H,4,6-8H2,1-3H3
InChIKey BFEXBKIAMGPNLG-UHFFFAOYSA-N
Molecular Weight 256.298 g/mol
SMILES OC12C(C(=O)OC)(C(=CCC2)OC)CCC(C)O1
SPLASH splash10-004r-0920000000-b2b553070736dc92843a
Source of Spectrum F-42-2890-30
Synonyms Methyl 3,4,7,8,4a,8a-hexahydro-8a-hydroxy-5-methoxy-2-methyl-2H-1-benzopyran-4a-carboxylate Methyl 8a-hydroxy-5-methoxy-2-methyl-3,4,8,8a-tetrahydro-2H-chromene-4a(7H)-carboxylate
Wiley ID 1259565