| SpectraBase Spectrum ID |
7MCU6VdwLxq |
| Name |
1-(Hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[E]indole-3-carboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.194008349 u |
| Formula |
C25H27NO4 |
| InChI |
InChI=1S/C25H27NO4/c1-25(2,3)30-24(28)26-14-18(15-27)23-20-12-8-7-11-19(20)22(13-21(23)26)29-16-17-9-5-4-6-10-17/h4-13,18,27H,14-16H2,1-3H3 |
| InChIKey |
WGMIDKXPARNAEF-UHFFFAOYSA-N |
| Molecular Weight |
405.494 g/mol |
| SMILES |
C1=2N(CC(C2C2=CC=CC=C2C(=C1)OCC=1C=CC=CC1)CO)C(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886925 |
![1-(Hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[E]indole-3-carboxylic acid tert-butyl ester](/api/spectrum/7MCU6VdwLxq/structure.png?h=300&w=458 "1-(Hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[E]indole-3-carboxylic acid tert-butyl ester")
