| SpectraBase Spectrum ID |
73QlI3XwZag |
| Name |
trans-Methyl 2-methyl-3-(2-hydroxyphenyl)-3,4-dihydro-1(2H)-isoquinoline-4-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C18H17NO4 - which differs from the formula reported for the mass spectrum (C20H21NO4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C18H17NO4/c1-19-16(13-9-5-6-10-14(13)20)15(18(22)23-2)11-7-3-4-8-12(11)17(19)21/h3-10,15-16,20H,1-2H3/t15-,16+/m0/s1 |
| InChIKey |
GCVUURFNBUFFPJ-JKSUJKDBSA-N |
| Molecular Weight |
311.337 g/mol |
| SMILES |
Oc1c([C@@]2([C@](C(=O)OC)([H])c3c(C(N2C)=O)cccc3)[H])cccc1 |
| SPLASH |
splash10-000i-0009000000-81d1eb42592756dde7df |
| Source of Spectrum |
F-50-9409-6 |
| Wiley ID |
1334608 |
