| SpectraBase Spectrum ID |
9dKjaLsjxB1 |
| Name |
(3-Bromanyl-1-phenylmethoxy-butan-2-yl) benzenesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.018743262 u |
| Formula |
C17H19BrO4S |
| InChI |
InChI=1S/C17H19BrO4S/c1-14(18)17(13-21-12-15-8-4-2-5-9-15)22-23(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3 |
| InChIKey |
GAYBHDFIHXBMOR-UHFFFAOYSA-N |
| Molecular Weight |
399.299 g/mol |
| SMILES |
C=1(C=CC=CC1)S(=O)(=O)OC(C(C)Br)COCC=1C=CC=CC1 |
