| SpectraBase Compound ID | 5GYKC1L38i6 |
|---|---|
| InChI | InChI=1S/C28H37NO3/c1-18(2)19-12-14-21-20(25(19)29-22-10-7-8-11-23(22)31-5)13-15-24-27(21,3)16-9-17-28(24,4)26(30)32-6/h7-8,10-12,14,18,24,29H,9,13,15-17H2,1-6H3/t24-,27-,28-/m1/s1 |
| InChIKey | VOSSGYNEWJHVRQ-RYRVMRHHSA-N |
| Mol Weight | 435.6 g/mol |
| Molecular Formula | C28H37NO3 |
| Exact Mass | 435.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EVIThtaFyLR |
|---|---|
| Name | Methyl 14-(2-Methoxyphenyl)aminodehydroabietate |
| Appearance | Amorphous white solid |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.277344052 u |
| Formula | C28H37NO3 |
| InChI | InChI=1S/C28H37NO3/c1-18(2)19-12-14-21-20(25(19)29-22-10-7-8-11-23(22)31-5)13-15-24-27(21,3)16-9-17-28(24,4)26(30)32-6/h7-8,10-12,14,18,24,29H,9,13,15-17H2,1-6H3/t24-,27-,28-/m1/s1 |
| InChIKey | VOSSGYNEWJHVRQ-RYRVMRHHSA-N |
| Instrument Name | Kratos MS 25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np000501y |
| Molecular Weight | 435.608 g/mol |
| Quality | 33 |
| SMILES | N(C=1C(=CC=C2C1CC[C@@]1([C@@]2(CCC[C@@]1(C)C(=O)OC)C)[H])C(C)C)C1=C(C=CC=C1)OC |
| SPLASH | splash10-000i-0000900000-c8492876f3c257c935a4 |
| Source of Spectrum | G4-64-765-17 (DOI: 10.1021/np000501y) |
| Wiley ID | 1892561 |