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Cyclopenta-1,3-dioxin-4(4aH)-one, 4a-acetyl-2-(1,1-dimethylethyl)tetrahydro-, [2S-(2.alpha.,4a.beta.,7a.beta.)]-
SpectraBase Compound ID 2DF4lREZtzu
InChI InChI=1S/C13H20O4/c1-8(14)13-7-5-6-9(13)16-11(12(2,3)4)17-10(13)15/h9,11H,5-7H2,1-4H3/t9-,11+,13-/m1/s1
InChIKey NRBRHYPIOUBHHO-SUZMYJTESA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrMjpVVTDJv
Name Cyclopenta-1,3-dioxin-4(4aH)-one, 4a-acetyl-2-(1,1-dimethylethyl)tetrahydro-, [2S-(2.alpha.,4a.beta.,7a.beta.)]-
CAS Registry Number 124898-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-8(14)13-7-5-6-9(13)16-11(12(2,3)4)17-10(13)15/h9,11H,5-7H2,1-4H3/t9-,11+,13-/m1/s1
InChIKey NRBRHYPIOUBHHO-SUZMYJTESA-N
Molecular Weight 240.299 g/mol
SMILES [C@@]12(C(O[C@](O[C@@]2(CCC1)[H])(C(C)(C)C)[H])=O)C(=O)C
SPLASH splash10-0005-9400000000-093f8c13879ca3e2ab44
Source of Spectrum H-72-703-5
Synonyms (2S,4aR,7aS)-4a-acetyl-2-(t-butyl)-5,6,7,7a-tetrahydrocyclopenta[d]dioxin-4(4aH)-one (2S,4aS,7aR)-4a-acetyl-2-tert-butyltetrahydrocyclopenta[d][1,3]dioxin-4(4aH)-one
Wiley ID 1242863