| SpectraBase Spectrum ID |
HlSaHwz0OA2 |
| Name |
1,4-bis-Butoxymethyl-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-3-5-11-17-13-15-7-9-16(10-8-15)14-18-12-6-4-2/h7-10H,3-6,11-14H2,1-2H3 |
| InChIKey |
KRVWQWZRWLMCPQ-UHFFFAOYSA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
C=1(C=CC(=CC1)COCCCC)COCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856802 |
