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(S)-4-[(2R,5R,6S)-5-Hydroxy-5-ethyl-6-methyltetrapyran-2-yl]pentan-4-olide
SpectraBase Compound ID K88lB4cHfmK
InChI InChI=1S/C13H22O4/c1-4-13(15)8-5-10(16-9(13)2)12(3)7-6-11(14)17-12/h9-10,15H,4-8H2,1-3H3/t9-,10+,12-,13+/m0/s1
InChIKey XHURDJBEHQXNAF-JULQROHOSA-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 8JU5VGlH7Dd
Name (S)-4-[(2R,5R,6S)-5-Hydroxy-5-ethyl-6-methyltetrapyran-2-yl]pentan-4-olide
Alternate Name(s) (5S)-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-2-oxanyl]-5-methyl-2-oxolanone (5S)-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-5-methyloxolan-2-one (5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl]-5-methyl-oxolan-2-one
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Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-13(15)8-5-10(16-9(13)2)12(3)7-6-11(14)17-12/h9-10,15H,4-8H2,1-3H3/t9-,10+,12-,13+/m0/s1
InChIKey XHURDJBEHQXNAF-JULQROHOSA-N
Molecular Weight 242.315 g/mol
SMILES O[C@]1([C@@](O[C@@]([C@]2(OC(=O)CC2)C)(CC1)[H])(C)[H])CC
SPLASH splash10-0a4j-6900000000-6a62e61239f8e58c3165
Source of Spectrum E1-37-1711-5
Wiley ID 1517765