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(3aS,4aS,6aS,9aR,9bS)-8,8-dimethyl-1,2,3,3a,6a,9a-hexahydrocyclopenta[1',4']cyclobuta[1',2':3,4]benzo[1,2-d][1,3]dioxol-4(4aH)-one

View entire compound with spectra: 1 MS (GC)

(3aS,4aS,6aS,9aR,9bS)-8,8-dimethyl-1,2,3,3a,6a,9a-hexahydrocyclopenta[1',4']cyclobuta[1',2':3,4]benzo[1,2-d][1,3]dioxol-4(4aH)-one
SpectraBase Compound ID 7Otp9JWHt2L
InChI InChI=1S/C14H18O3/c1-13(2)16-10-6-5-9-11(15)8-4-3-7-14(8,9)12(10)17-13/h5-6,8-10,12H,3-4,7H2,1-2H3/t8?,9-,10+,12+,14+/m1/s1
InChIKey LKQNLGBXBKPRDA-YNTZNDERSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gcx0NfToo7o
Name (3aS,4aS,6aS,9aR,9bS)-8,8-dimethyl-1,2,3,3a,6a,9a-hexahydrocyclopenta[1',4']cyclobuta[1',2':3,4]benzo[1,2-d][1,3]dioxol-4(4aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-13(2)16-10-6-5-9-11(15)8-4-3-7-14(8,9)12(10)17-13/h5-6,8-10,12H,3-4,7H2,1-2H3/t8?,9-,10+,12+,14+/m1/s1
InChIKey LKQNLGBXBKPRDA-YNTZNDERSA-N
Literature Reference DOI 10.1021/jo400952u
Molecular Weight 234.295 g/mol
SMILES C1(O[C@]2([C@@](O1)(C=C[C@]1([C@]22C(C1=O)CCC2)[H])[H])[H])(C)C
SPLASH splash10-00dr-9300000000-ff45dab267aa3e31e050
Source of Spectrum J-78-7107-25
Wiley ID 1745611