| SpectraBase Spectrum ID |
CIzRu7ToTFo |
| Name |
1,4-Cyclopentadiene-1-carboxylic acid, 4-amino-5-(4-methoxyphenyl)-3,3-dimethyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.136493473 u |
| Formula |
C16H19NO3 |
| InChI |
InChI=1S/C16H19NO3/c1-16(2)9-12(15(18)20-4)13(14(16)17)10-5-7-11(19-3)8-6-10/h5-9H,17H2,1-4H3 |
| InChIKey |
XKESLIPXJCFTIE-UHFFFAOYSA-N |
| SMILES |
C=1(C(=C(N)C(C1)(C)C)C1=CC=C(C=C1)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895875 |
