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Cyclopenta-1,3-dioxin-4(4aH)-one, 2-(1,1-dimethylethyl)tetrahydro-4a-(1-hydroxyethyl)-, [2S-[2.alpha.,4a.beta.(R*),7a.beta.]]-
SpectraBase Compound ID 1tCsQgmO3X4
InChI InChI=1S/C13H22O4/c1-8(14)13-7-5-6-9(13)16-11(12(2,3)4)17-10(13)15/h8-9,11,14H,5-7H2,1-4H3/t8?,9-,11-,13+/m0/s1
InChIKey QRLJZRAICFVMJE-ZZGUVIKZSA-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 K8PnEavYNaJ
Name Cyclopenta-1,3-dioxin-4(4aH)-one, 2-(1,1-dimethylethyl)tetrahydro-4a-(1-hydroxyethyl)-, [2S-[2.alpha.,4a.beta.(R*),7a.beta.]]-
Alternate Name(s) (2S,4aR,7aS)-2-tert-butyl-4a-(1-hydroxyethyl)tetrahydrocyclopenta[d][1,3]dioxin-4(4aH)-one (2S,4aR,7aS,1'.XI.)-2-(t-butyl)-4a-(1'-hydroxyethyl)-5,6,7,7a-tetrahydrocyclopenta[d]dioxin-4(4aH)-one
CAS Registry Number 124898-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-8(14)13-7-5-6-9(13)16-11(12(2,3)4)17-10(13)15/h8-9,11,14H,5-7H2,1-4H3/t8?,9-,11-,13+/m0/s1
InChIKey QRLJZRAICFVMJE-ZZGUVIKZSA-N
Molecular Weight 242.315 g/mol
SMILES OC([C@]12C(O[C@](O[C@]2(CCC1)[H])(C(C)(C)C)[H])=O)C
SPLASH splash10-01ow-9400000000-9c462222a28ae55f54c3
Source of Spectrum H-72-704-5
Wiley ID 1244947