| SpectraBase Spectrum ID |
IhHO6VRvz0X |
| Name |
(+/-)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol, (+)-tartrate (salt) (2:1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.205695228 u |
| Formula |
C22H32N2O10 |
| InChI |
InChI=1S/2C9H13NO2.C4H6O6/c2*1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2*2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1 |
| InChIKey |
KZZBAIXGUQOHKI-CEAXSRTFSA-N |
| SMILES |
O[C@]([C@@](O)(C(=O)[O-])[H])(C(=O)[O-])[H].OC(C[NH2+]C)C1=CC=C(O)C=C1.OC(C[NH2+]C)C1=CC=C(O)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.803972 |
![(+/-)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol, (+)-tartrate (salt) (2:1)](/api/spectrum/IhHO6VRvz0X/structure.png?h=300&w=458 "(+/-)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol, (+)-tartrate (salt) (2:1)")
