| SpectraBase Spectrum ID |
HLgH89tej6l |
| Name |
Benzoic acid, 2-(acetylamino)-3-[(3-methyl-2-butenyl)oxy]-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-5-20-16(19)13-7-6-8-14(15(13)17-12(4)18)21-10-9-11(2)3/h6-9H,5,10H2,1-4H3,(H,17,18) |
| InChIKey |
BXYWBUNLTXLQKC-UHFFFAOYSA-N |
| SMILES |
C=1(C(NC(=O)C)=C(OCC=C(C)C)C=CC1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810042 |
![Benzoic acid, 2-(acetylamino)-3-[(3-methyl-2-butenyl)oxy]-, ethyl ester](/api/spectrum/HLgH89tej6l/structure.png?h=300&w=458 "Benzoic acid, 2-(acetylamino)-3-[(3-methyl-2-butenyl)oxy]-, ethyl ester")
