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3H-3,8a-Methano-1H-cyclopent[c]oxepin-1-one, hexahydro-3-methoxy-, (3.alpha.,5a.beta.,8a.beta.)-(.+-.)-
SpectraBase Compound ID 5TST94BoNqU
InChI InChI=1S/C11H16O3/c1-13-11-6-4-8-3-2-5-10(8,7-11)9(12)14-11/h8H,2-7H2,1H3/t8-,10+,11-/m1/s1
InChIKey NJSCOFNHPIPTBO-DVVUODLYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOeFECF7lg6
Name 3H-3,8a-Methano-1H-cyclopent[c]oxepin-1-one, hexahydro-3-methoxy-, (3.alpha.,5a.beta.,8a.beta.)-(.+-.)-
Alternate Name(s) (1S,5R,8R)-8-methoxy-9-oxatricyclo[6.2.1.0(1,5)]undecan-10-one
CAS Registry Number 120966-99-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-13-11-6-4-8-3-2-5-10(8,7-11)9(12)14-11/h8H,2-7H2,1H3/t8-,10+,11-/m1/s1
InChIKey NJSCOFNHPIPTBO-DVVUODLYSA-N
Molecular Weight 196.246 g/mol
SMILES C1(O[C@@]2(CC[C@@]3([C@@]1(C2)CCC3)[H])OC)=O
SPLASH splash10-00di-0900000000-f7a3654a49383ac4bdd3
Source of Spectrum K-122-1973-3
Wiley ID 1193191