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(3R,4S,4aR)-4,8-Dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-[2]-benzopyran-1-one
SpectraBase Compound ID 3jniCkB64vY
InChI InChI=1S/C10H14O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h5-6,9,11-12H,2-4H2,1H3
InChIKey DMSJNSRRGQBKJW-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjC3oqI4Wxk
Name (3R,4S,4aR)-4,8-Dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-[2]-benzopyran-1-one
Alternate Name(s) 4,8-Dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h5-6,9,11-12H,2-4H2,1H3
InChIKey DMSJNSRRGQBKJW-UHFFFAOYSA-N
Molecular Weight 198.218 g/mol
SMILES OC1=C2C(C(C(OC2=O)C)O)CCC1
SPLASH splash10-00di-0900000000-1a767b85f33c96c5cc8d
Source of Spectrum G4-58-1765-4
Wiley ID 1606061