| SpectraBase Spectrum ID |
31j9q7HGXP0 |
| Name |
(2E)-2-(1-Benzyl-3-methoxy-pyrrolidin-2-ylidene)acetic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.183443666 u |
| Formula |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c1-18(2,3)22-17(20)12-15-16(21-4)10-11-19(15)13-14-8-6-5-7-9-14/h5-9,12,16H,10-11,13H2,1-4H3/b15-12+ |
| InChIKey |
NRRBCFNWRWLGLH-NTCAYCPXSA-N |
| Molecular Weight |
303.402 g/mol |
| SMILES |
C1(\C(N(CC1)CC=1C=CC=CC1)=C/C(=O)OC(C)(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926283 |
