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(3aS,5aS,5bS,9aS,9bR)-2,2-dimethyl-5a,5b,7,8,9,9b-hexahydrobenzo[1',3']cyclopropa[1',2':3,4]benzo[1,2-d][1,3]dioxol-6(3aH)-one

View entire compound with spectra: 1 MS (GC)

(3aS,5aS,5bS,9aS,9bR)-2,2-dimethyl-5a,5b,7,8,9,9b-hexahydrobenzo[1',3']cyclopropa[1',2':3,4]benzo[1,2-d][1,3]dioxol-6(3aH)-one
SpectraBase Compound ID 3F3IPcYbeUD
InChI InChI=1S/C14H18O3/c1-13(2)16-10-6-5-8-11-9(15)4-3-7-14(8,11)12(10)17-13/h5-6,8,10-12H,3-4,7H2,1-2H3/t8-,10-,11?,12-,14-/m0/s1
InChIKey MDOGILJJYUYWDG-RQTBMDGOSA-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 4BqkSeEjqY3
Name (3aS,5aS,5bS,9aS,9bR)-2,2-dimethyl-5a,5b,7,8,9,9b-hexahydrobenzo[1',3']cyclopropa[1',2':3,4]benzo[1,2-d][1,3]dioxol-6(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-13(2)16-10-6-5-8-11-9(15)4-3-7-14(8,11)12(10)17-13/h5-6,8,10-12H,3-4,7H2,1-2H3/t8-,10-,11?,12-,14-/m0/s1
InChIKey MDOGILJJYUYWDG-RQTBMDGOSA-N
Literature Reference DOI 10.1021/jo400952u
Molecular Weight 234.295 g/mol
SMILES [C@@]123[C@@](C=C[C@]4([C@@]3(OC(C)(C)O4)[H])[H])(C1C(CCC2)=O)[H]
SPLASH splash10-054p-6900000000-34197f6f03f573b81005
Source of Spectrum J-78-7107-24
Wiley ID 1745610