| SpectraBase Spectrum ID |
7G9vwccK23X |
| Name |
4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(2S)-PYRROLIDIN2-methoxy]aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.303893153 u |
| Formula |
C32H40N2O3 |
| InChI |
InChI=1S/C32H40N2O3/c1-22-23(2)31-29(24(3)30(22)36-19-25-9-6-5-7-10-25)16-17-32(4,37-31)21-34-18-8-11-27(34)20-35-28-14-12-26(33)13-15-28/h5-7,9-10,12-15,27H,8,11,16-21,33H2,1-4H3/t27-,32?/m0/s1 |
| InChIKey |
QCAUOPFTIRBUHA-BSXJZHEVSA-N |
| Molecular Weight |
500.683 g/mol |
| SMILES |
C1=2C(=C(C)C(=C(C2C)C)OCC=2C=CC=CC2)CCC(O1)(CN1[C@](COC=2C=CC(=CC2)N)(CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934155 |
![4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(2S)-pyrrolidin2-methoxy]aniline](/api/spectrum/7G9vwccK23X/structure.png?h=300&w=458 "4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(2S)-pyrrolidin2-methoxy]aniline")
