| SpectraBase Spectrum ID |
LgTUdXRvBrA |
| Name |
4-Bromobutyl benzoate |
| Alternate Name(s) |
4-bromanylbutyl benzoate
benzoic acid 4-bromobutyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H13BrO2 |
| InChI |
InChI=1S/C11H13BrO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2 |
| InChIKey |
QYSDMATZBUXJMW-UHFFFAOYSA-N |
| Molecular Weight |
257.127 g/mol |
| SMILES |
C(=O)(c1ccccc1)OCCCCBr |
| SPLASH |
splash10-0a4i-0090000000-8a65cf90ea1a68a3c5e6 |
| Source of Spectrum |
CV-0-16-2 |
| Wiley ID |
872619 |
