| SpectraBase Spectrum ID |
K0oEBr9bM5t |
| Name |
Methyl (-)-3S-6-bromo-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate |
| Appearance |
Brown gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14BrNO4 |
| InChI |
InChI=1S/C12H14BrNO4/c1-17-11-8(13)3-6-4-9(12(16)18-2)14-5-7(6)10(11)15/h3,9,14-15H,4-5H2,1-2H3/t9-/m0/s1 |
| InChIKey |
XQBGNAHXHIIPOB-VIFPVBQESA-N |
| Instrument Name |
Micromass Autospec Ultima ETOF |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1021/np060400l |
| Molecular Weight |
316.151 g/mol |
| Optical Rotation |
[a]D20 = -29.0 (c = 0.07, MeOH) |
| Reported Formula |
C12H14(79)BrNO4 |
| SMILES |
N1[C@@](Cc2cc(c(c(c2C1)O)OC)Br)(C(OC)=O)[H] |
| SPLASH |
splash10-0a4i-1291000000-36685cad34fb59c1a1ed |
| Source of Spectrum |
G4-70-SM34-7 |
| Wiley ID |
1874431 |
