| SpectraBase Spectrum ID |
HnrRXWjmEhP |
| Name |
2-(Heptyloxy)-5-nitrobenzyl 2,6-xylyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.209658414 u |
| Formula |
C22H29NO4 |
| InChI |
InChI=1S/C22H29NO4/c1-4-5-6-7-8-14-26-21-13-12-20(23(24)25)15-19(21)16-27-22-17(2)10-9-11-18(22)3/h9-13,15H,4-8,14,16H2,1-3H3 |
| InChIKey |
DBLVDYVJJWHVJK-UHFFFAOYSA-N |
| Molecular Weight |
371.477 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C(=CC1)OCCCCCCC)COC=1C(=CC=CC1C)C |
| Spectrum/Structure Validation Score (Raman) |
0.96003 |
