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7,3a-(Epoxymethano)-3aH-inden-9-one, 1,2,3,6,7,7a-hexahydro-1-(2-hydroxy-1-methylethyl)-, [1.alpha.(S*),3a.alpha.,7.alpha.,7a.beta.]-(.+-.)-
SpectraBase Compound ID 5e84gLsdGOS
InChI InChI=1S/C13H18O3/c1-8(7-14)9-4-6-13-5-2-3-10(11(9)13)16-12(13)15/h2-3,8-11,14H,4-7H2,1H3/t8?,9-,10-,11-,13-/m1/s1
InChIKey GLOQBHLSOCFVCS-ZELGKILVSA-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 G3iI2dklwOp
Name 7,3a-(Epoxymethano)-3aH-inden-9-one, 1,2,3,6,7,7a-hexahydro-1-(2-hydroxy-1-methylethyl)-, [1.alpha.(S*),3a.alpha.,7.alpha.,7a.beta.]-(.+-.)-
Alternate Name(s) (1S,4R,5S,6R)-4-[(1S)-2-hydroxy-1-methylethyl]-11-oxatricyclo[4.3.2.0(1,5)]undec-7-en-10-one rel-(1R,3aS,7R,7aS)-1-[2-hydroxy-1(S)-methylethyl)]1,2,3,6,7,7a-hexahydro-7-3a-(epoxymethano)3ah-inden-9-one
CAS Registry Number 122999-30-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8(7-14)9-4-6-13-5-2-3-10(11(9)13)16-12(13)15/h2-3,8-11,14H,4-7H2,1H3/t8?,9-,10-,11-,13-/m1/s1
InChIKey GLOQBHLSOCFVCS-ZELGKILVSA-N
Molecular Weight 222.284 g/mol
SMILES OCC([C@@]1([C@]2([C@]3(C(O[C@@]2(C=CC3)[H])=O)CC1)[H])[H])C
SPLASH splash10-014i-7900000000-4efbca57005cae6c8990
Source of Spectrum C-111-7515-44
Wiley ID 1222582