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7-Methyl-7,8-dihydroxy3-propylperhydrobenzo[c]pyran-6-one
SpectraBase Compound ID 19LanvvNjJC
InChI InChI=1S/C13H22O4/c1-3-4-9-5-8-6-11(14)13(2,16)12(15)10(8)7-17-9/h8-10,12,15-16H,3-7H2,1-2H3/t8-,9-,10?,12+,13+/m0/s1
InChIKey OERJXVQMSIPUQO-WWSVLHECSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kKDWGkeMz0
Name 7-Methyl-7,8-dihydroxy3-propylperhydrobenzo[c]pyran-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-3-4-9-5-8-6-11(14)13(2,16)12(15)10(8)7-17-9/h8-10,12,15-16H,3-7H2,1-2H3/t8-,9-,10?,12+,13+/m0/s1
InChIKey OERJXVQMSIPUQO-WWSVLHECSA-N
Molecular Weight 242.315 g/mol
SMILES O[C@]1([C@@](C(C[C@@]2(C[C@@](OCC12)(CCC)[H])[H])=O)(O)C)[H]
SPLASH splash10-0007-9330000000-060c7edb97704f9440e8
Source of Spectrum E1-44-2216-13
Synonyms (3S,4aS,7S,8R)-7,8-dihydroxy-7-methyl-3-propyloctahydro-6H-2-benzopyran-6-one 7-Methyl-7,8-dihydroxy3-propylperbenzo[c]pyran-6-one
Wiley ID 1553630