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 |