| SpectraBase Compound ID | DeVlhe60hB1 |
|---|---|
| InChI | InChI=1S/C21H22/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h6-9,19H,2-5,10-12H2,1H3 |
| InChIKey | ZDSPIWHPOSTIAY-UHFFFAOYSA-N |
| Mol Weight | 274.41 g/mol |
| Molecular Formula | C21H22 |
| Exact Mass | 274.172151 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Vk94VXGPM0 |
|---|---|
| Name | 1,2,6,7,8,9,10,12b-octahydro-3-methylbenz(j)aceanthrylene |
| CAS Registry Number | 35281-27-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22 |
| InChI | InChI=1S/C21H22/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h6-9,19H,2-5,10-12H2,1H3 |
| InChIKey | ZDSPIWHPOSTIAY-UHFFFAOYSA-N |
| Molecular Weight | 274.407 g/mol |
| SMILES | c12c(C3CCc4c3c(C2)ccc4C)ccc2c1CCCC2 |
| SPLASH | splash10-00di-0090000000-405f986b2087a989a5a7 |
| Source of Spectrum | W5-24591-0-0 |
| Synonyms | 3-Methyl-1,2,6,7,8,9,10,12b-octahydrobenzo[j]aceanthrylene 3-Methyl-1,2,6,7,8,9,10,12b-octahydrobenz[j]aceanthrylene 6,7,8,9,10,12b-hexahydro-3-methyl-cholanthrene Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- BRN 2465473 |
| Wiley ID | 1278771 |