| SpectraBase Spectrum ID |
FnMalSVfYh7 |
| Name |
3-tert-butyl-2-benzopyran-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O2 |
| InChI |
InChI=1S/C13H14O2/c1-13(2,3)11-8-9-6-4-5-7-10(9)12(14)15-11/h4-8H,1-3H3 |
| InChIKey |
PNVFFMKMQWQYAQ-UHFFFAOYSA-N |
| Molecular Weight |
202.253 g/mol |
| SMILES |
C=1(OC(=O)c2c(C1)cccc2)C(C)(C)C |
| SPLASH |
splash10-0002-0900000000-90bf9b8f2232e3e0a06e |
| Source of Spectrum |
H1-41-2595-3 |
| Synonyms |
3-tert-butylisochromen-1-one
3-tert-butylisocoumarin |
| Wiley ID |
757367 |
