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5,8-Methano-1H-2-benzopyran-1-one, octahydro-, (4a.alpha.,5.alpha.,8.alpha.,8a.alpha.)-
SpectraBase Compound ID KK98lm04Doz
InChI InChI=1S/C10H14O2/c11-10-9-7-2-1-6(5-7)8(9)3-4-12-10/h6-9H,1-5H2/t6-,7+,8-,9+/m1/s1
InChIKey NEUGKNZYJOBUMM-XAVMHZPKSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLUd8gVQ4Tg
Name 5,8-Methano-1H-2-benzopyran-1-one, octahydro-, (4a.alpha.,5.alpha.,8.alpha.,8a.alpha.)-
CAS Registry Number 99128-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c11-10-9-7-2-1-6(5-7)8(9)3-4-12-10/h6-9H,1-5H2/t6-,7+,8-,9+/m1/s1
InChIKey NEUGKNZYJOBUMM-XAVMHZPKSA-N
Molecular Weight 166.220 g/mol
SMILES [C@]12([C@@]3(C[C@]([C@]2(CCOC1=O)[H])(CC3)[H])[H])[H]
SPLASH splash10-0006-9100000000-4151a9d5e91938afce9a
Source of Spectrum J-50-5197-6
Synonyms (1S,2S,7R,8R)-4-oxatricyclo[6.2.1.0(2,7)]undecan-3-one 5,8-Methano-3,4,4a,5,6,7,8,8a-octahydro-1H-2-benzopyran-1-one
Wiley ID 1162682