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2H-Pyran-2-one, 4-(acetyloxy)tetrahydro-5-iodo-3,6-dimethyl-, (3.alpha.,4.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID L0Li9auR25y
InChI InChI=1S/C9H13IO4/c1-4-8(14-6(3)11)7(10)5(2)13-9(4)12/h4-5,7-8H,1-3H3/t4-,5-,7-,8+/m1/s1
InChIKey SMIHLEWFEVQWKY-APOSLCTFSA-N
Mol Weight 312.1 g/mol
Molecular Formula C9H13IO4
Exact Mass 311.985854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfqrkhLrQTy
Name 2H-Pyran-2-one, 4-(acetyloxy)tetrahydro-5-iodo-3,6-dimethyl-, (3.alpha.,4.alpha.,5.alpha.,6.beta.)-
CAS Registry Number 88431-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13IO4
InChI InChI=1S/C9H13IO4/c1-4-8(14-6(3)11)7(10)5(2)13-9(4)12/h4-5,7-8H,1-3H3/t4-,5-,7-,8+/m1/s1
InChIKey SMIHLEWFEVQWKY-APOSLCTFSA-N
Molecular Weight 312.103 g/mol
SMILES C1([C@@]([C@](OC(=O)C)([C@@]([C@](O1)(C)[H])(I)[H])[H])(C)[H])=O
SPLASH splash10-004i-0910000000-b6fb400940ad725972c9
Source of Spectrum C-106-1083-0
Synonyms (2R,3R,4S,5R)-3-iodo-2,5-dimethyl-6-oxooxan-4-yl acetate cis,cis,trans-2-methyl-3-acetoxy-4-iodo-5-methyl-.delta.-valerolactone
Wiley ID 1312792