| SpectraBase Spectrum ID |
Bwf5vnH2V4j |
| Name |
1,4-bis(2,4-Dichlorophenoxy)-2-butyne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.943490360 u |
| Formula |
C16H10Cl4O2 |
| InChI |
InChI=1S/C16H10Cl4O2/c17-11-3-5-15(13(19)9-11)21-7-1-2-8-22-16-6-4-12(18)10-14(16)20/h3-6,9-10H,7-8H2 |
| InChIKey |
KWGPWHCQDJFCNA-UHFFFAOYSA-N |
| Molecular Weight |
376.066 g/mol |
| SMILES |
C=1C(=C(C=C(C1)Cl)Cl)OCC#CCOC=1C(=CC(=CC1)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.908723 |
