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rel-(1R,4aS,7R,8aR)-1,5,6,7,8,8a-hexahydro-1-methoxy-7-methyl-2H-1,4a-(epoxymethano)naphthalen-9-one
SpectraBase Compound ID C6oXdWFWxzw
InChI InChI=1S/C13H18O3/c1-9-4-7-12-5-3-6-13(15-2,10(12)8-9)16-11(12)14/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10-,12-,13-/m1/s1
InChIKey ZMZYVYAIBCQYQK-FPQZTECRSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID V4PncaR6R7
Name rel-(1R,4aS,7R,8aR)-1,5,6,7,8,8a-hexahydro-1-methoxy-7-methyl-2H-1,4a-(epoxymethano)naphthalen-9-one
Alternate Name(s) (1S,4R,6R,7R)-7-methoxy-4-methyl-12-oxatricyclo[5.3.2.0(1,6)]dodec-8-en-11-one
CAS Registry Number 114924-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-4-7-12-5-3-6-13(15-2,10(12)8-9)16-11(12)14/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10-,12-,13-/m1/s1
InChIKey ZMZYVYAIBCQYQK-FPQZTECRSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12(OC(=O)[C@]3([C@]2(C[C@@](CC3)(C)[H])[H])CC=C1)OC
SPLASH splash10-002f-8900000000-849923bae1f6bad1749b
Source of Spectrum J-53-3222-12
Wiley ID 1222608