| SpectraBase Spectrum ID |
HGzVaBRAB3I |
| Name |
trans-1-t-Butyl-1,4-dihydro-4-methyl-3H-2-benzopyran-3-one |
| Alternate Name(s) |
(1R,4R)-1-tert-butyl-4-methyl-1,4-dihydro-3H-2-benzopyran-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-9-10-7-5-6-8-11(10)12(14(2,3)4)16-13(9)15/h5-9,12H,1-4H3/t9-,12+/m1/s1 |
| InChIKey |
ZAAMUDLADWYYHU-SKDRFNHKSA-N |
| Molecular Weight |
218.296 g/mol |
| SMILES |
C1(O[C@@](c2c([C@]1(C)[H])cccc2)(C(C)(C)C)[H])=O |
| SPLASH |
splash10-03di-0900000000-35788bc8b3435a28fcf5 |
| Source of Spectrum |
AJ-67-584-5 |
| Wiley ID |
772521 |
