| SpectraBase Compound ID | 5jW1Sw9nmj7 |
|---|---|
| InChI | InChI=1S/C16H18O6/c1-16(2)15(18)14(20-4)12-10(22-16)7-9(19-3)8-5-6-11(17)21-13(8)12/h5-7,14-15,18H,1-4H3 |
| InChIKey | NACAFQOYZHTCHZ-UHFFFAOYSA-N |
| Mol Weight | 306.31 g/mol |
| Molecular Formula | C16H18O6 |
| Exact Mass | 306.110338 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FrrRfMx7Ffd |
|---|---|
| Name | trans-O-Methylgrandmarin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H18O6 |
| InChI | InChI=1S/C16H18O6/c1-16(2)15(18)14(20-4)12-10(22-16)7-9(19-3)8-5-6-11(17)21-13(8)12/h5-7,14-15,18H,1-4H3 |
| InChIKey | NACAFQOYZHTCHZ-UHFFFAOYSA-N |
| Molecular Weight | 306.314 g/mol |
| SMILES | OC1C(C)(C)Oc2c(c3c(C=CC(O3)=O)c(c2)OC)C1OC |
| SPLASH | splash10-0a4r-0091000000-e3a1a5935d55ab5d7ef0 |
| Source of Spectrum | E1-37-2218-5 |
| Wiley ID | 1517885 |