For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2-methoxy-4a,8-dimethyl-, (4a.alpha.,8.beta.,8a.alpha.)-
SpectraBase Compound ID CYFGlT1VEE9
InChI InChI=1S/C13H16O3/c1-8-5-4-6-13(2)10(14)7-9(16-3)12(15)11(8)13/h4-5,7-8,11H,6H2,1-3H3/t8-,11+,13-/m1/s1
InChIKey ADKWIBOFPXAWJG-YDEJPDAXSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BnZcweCsVWM
Name 1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2-methoxy-4a,8-dimethyl-, (4a.alpha.,8.beta.,8a.alpha.)-
CAS Registry Number 58822-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8-5-4-6-13(2)10(14)7-9(16-3)12(15)11(8)13/h4-5,7-8,11H,6H2,1-3H3/t8-,11+,13-/m1/s1
InChIKey ADKWIBOFPXAWJG-YDEJPDAXSA-N
Molecular Weight 220.268 g/mol
SMILES [C@@]12(C(C=C(C([C@@]2([C@](C)(C=CC1)[H])[H])=O)OC)=O)C
SPLASH splash10-002f-0930000000-469c794f4f964054cc94
Source of Spectrum K-110-2044-0
Synonyms (4aS,8R,8aR)-2-methoxy-4a,8-dimethyl-4a,5,8,8a-tetrahydro-1,4-naphthalenedione 4a,5,8,8a.beta.-tetrahydro-2-methoxy-4a.beta.,8.alpha.-dimethyl-1,4-naphthalindione
Wiley ID 1219879