| SpectraBase Compound ID | 62n3siBIeR2 |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-9-5-8-16-10(2)12(14(18)19-4)13(17)15(16,3)7-6-11(9)16/h9,11,13,17H,5-8H2,1-4H3/t9-,11+,13-,15+,16+/m1/s1 |
| InChIKey | DZFYCBVMBWCTAG-IBRGLHJFSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DPWOlvWSv2r |
|---|---|
| Name | Methyl cantabrenolate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-9-5-8-16-10(2)12(14(18)19-4)13(17)15(16,3)7-6-11(9)16/h9,11,13,17H,5-8H2,1-4H3/t9-,11+,13-,15+,16+/m1/s1 |
| InChIKey | DZFYCBVMBWCTAG-IBRGLHJFSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | O[C@]1([C@]2([C@@]3(C(=C1C(=O)OC)C)[C@@](CC2)([C@](C)(CC3)[H])[H])C)[H] |
| SPLASH | splash10-0006-7590000000-1a8b15cd0ea1c32308bf |
| Source of Spectrum | X2-49-852-4 |
| Wiley ID | 1602020 |