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(3S,4aR)-3-Ethyl-8-hydroxy-3,4,4a,5,6,7-hexahydrobenzo[c]pyranone
SpectraBase Compound ID 8MXuVkhtd24
InChI InChI=1S/C11H16O3/c1-2-8-6-7-4-3-5-9(12)10(7)11(13)14-8/h7-8,12H,2-6H2,1H3/t7-,8+/m1/s1
InChIKey MKIRYUDGYGSMLP-SFYZADRCSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pu4qiHJkEd
Name (3S,4aR)-3-Ethyl-8-hydroxy-3,4,4a,5,6,7-hexahydrobenzo[c]pyranone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-2-8-6-7-4-3-5-9(12)10(7)11(13)14-8/h7-8,12H,2-6H2,1H3/t7-,8+/m1/s1
InChIKey MKIRYUDGYGSMLP-SFYZADRCSA-N
Molecular Weight 196.246 g/mol
SMILES OC1=C2C(O[C@](C[C@]2(CCC1)[H])(CC)[H])=O
SPLASH splash10-00dm-2900000000-56f2d405d83a3916769b
Source of Spectrum SO-0-213-5
Synonyms (3S,4aR)-3-ethyl-8-hydroxy-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-1-one (3S,4aR)-3-ethyl-8-hydroxy-3,4,4a,5,6,7-hexahydro-2-benzopyran-1-one (3S,4aR)-3-ethyl-8-oxidanyl-3,4,4a,5,6,7-hexahydroisochromen-1-one
Wiley ID 873433