| SpectraBase Compound ID | ExLBfHBidhV |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-8-7-11(14)13(3)9(2)5-4-6-10(13)12(8)15/h4-5,7,9-10H,6H2,1-3H3/t9-,10+,13-/m0/s1 |
| InChIKey | GOIQDZFDDUMLMB-CWSCBRNRSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3RcOYtYla6h |
|---|---|
| Name | 4a,5,8,8a.beta.-tetrahydro-2,4,5-trimethyl-1,4-naphthalendione |
| CAS Registry Number | 63780-09-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-8-7-11(14)13(3)9(2)5-4-6-10(13)12(8)15/h4-5,7,9-10H,6H2,1-3H3/t9-,10+,13-/m0/s1 |
| InChIKey | GOIQDZFDDUMLMB-CWSCBRNRSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | [C@@]12(C(C=C(C([C@]2(CC=C[C@@]1(C)[H])[H])=O)C)=O)C |
| SPLASH | splash10-0w4r-0940000000-e4efa557c3db38cf5641 |
| Source of Spectrum | K-110-2042-0 |
| Synonyms | 1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2,4a,5-trimethyl-, (4a.alpha.,5.beta.,8a.beta.)- (4aS,5S,8aS)-2,4a,5-trimethyl-4a,5,8,8a-tetrahydro-1,4-naphthalenedione 4a,5,8,8a.beta.-tetrahydro-2,4,5-trimethyl-1,4-naphthalindione 4a,5,8,8a.beta.-tetrahydro-2,4a.beta.,5.alpha.-trimethyl-1,4-naphthalindione |
| Wiley ID | 1202031 |