| SpectraBase Compound ID | HIXd6lDaiRr |
|---|---|
| InChI | InChI=1S/C12H15N.C2H2O4/c1-2-5-12-11-7-4-3-6-10(11)8-9-13-12;3-1(4)2(5)6/h2-4,6-7,12-13H,1,5,8-9H2;(H,3,4)(H,5,6) |
| InChIKey | SPGZONMQQOJNPE-UHFFFAOYSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C14H17NO4 |
| Exact Mass | 263.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JosxBWpt2n |
|---|---|
| Name | 1-Allyl-1,2,3,4-tetrahydroisoquinoline, oxalate(1:1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.115758027 u |
| Formula | C14H17NO4 |
| InChI | InChI=1S/C12H15N.C2H2O4/c1-2-5-12-11-7-4-3-6-10(11)8-9-13-12;3-1(4)2(5)6/h2-4,6-7,12-13H,1,5,8-9H2;(H,3,4)(H,5,6) |
| InChIKey | SPGZONMQQOJNPE-UHFFFAOYSA-N |
| SMILES | N1CCC=2C=CC=CC2C1CC=C.OC(C(O)=O)=O |