| SpectraBase Spectrum ID |
9oaVDzxVRgm |
| Name |
(S)-3,7-Dimethyl-3-octyl p-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.178358285 u |
| Formula |
C17H25NO4 |
| InChI |
InChI=1S/C17H25NO4/c1-5-17(4,12-6-7-13(2)3)22-16(19)14-8-10-15(11-9-14)18(20)21/h8-11,13H,5-7,12H2,1-4H3/t17-/m0/s1 |
| InChIKey |
FPVQLGTUPNNTOQ-KRWDZBQOSA-N |
| Molecular Weight |
307.390 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(C(O[C@](CCCC(C)C)(CC)C)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947143 |
