| SpectraBase Spectrum ID |
BtbWE7PnBj0 |
| Name |
Methyl 12-(4-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)22-16-19-8-13-25-27(3,14-7-15-28(25,4)26(30)32-6)23(19)17-24(22)29-20-9-11-21(31-5)12-10-20/h9-12,16-18,25,29H,7-8,13-15H2,1-6H3/t25-,27-,28-/m1/s1 |
| InChIKey |
GRBKEIWRTHZNTC-BIYCFNCWSA-N |
| Instrument Name |
Kratos MS 25RF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np000501y |
| Molecular Weight |
435.608 g/mol |
| Quality |
82 |
| SMILES |
N(C1=CC=C(C=C1)OC)C1=C(C=C2C(=C1)[C@@]1([C@@](CC2)([C@](CCC1)(C)C(=O)OC)[H])C)C(C)C |
| SPLASH |
splash10-052r-5000900000-bbcadfcdac795b3486e0 |
| Source of Spectrum |
G4-64-764-11 (DOI: 10.1021/np000501y) |
| Wiley ID |
1892555 |
