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rel-(1S,4aR,8aR)-1,5,6,7,8,8a-hexahydro-1-methoxy-2H-1,4a-(epoxymethano)naphthalen-9-one
SpectraBase Compound ID CT3KsQ5Jyl2
InChI InChI=1S/C12H16O3/c1-14-12-8-4-7-11(15-10(12)13)6-3-2-5-9(11)12/h4,7,9H,2-3,5-6,8H2,1H3/t9-,11-,12+/m1/s1
InChIKey AEQKXKJMOBVDOC-JLLWLGSASA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xL0BQ4sfca
Name rel-(1S,4aR,8aR)-1,5,6,7,8,8a-hexahydro-1-methoxy-2H-1,4a-(epoxymethano)naphthalen-9-one
CAS Registry Number 114837-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-14-12-8-4-7-11(15-10(12)13)6-3-2-5-9(11)12/h4,7,9H,2-3,5-6,8H2,1H3/t9-,11-,12+/m1/s1
InChIKey AEQKXKJMOBVDOC-JLLWLGSASA-N
Molecular Weight 208.257 g/mol
SMILES C1([C@]2([C@@]3(CCCC[C@@]3(O1)C=CC2)[H])OC)=O
SPLASH splash10-01vo-6900000000-ef5f561bc93af72321ea
Source of Spectrum J-53-3214-25
Synonyms (1R,6R,7S)-7-methoxy-11-oxatricyclo[5.3.2.0(1,6)]dodec-9-en-12-one
Wiley ID 1206903