SpectraBase Spectrum ID |
HGzVaBRAB3I |
Name |
trans-1-t-Butyl-1,4-dihydro-4-methyl-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 |
Synonyms |
(1R,4R)-1-tert-butyl-4-methyl-1,4-dihydro-3H-2-benzopyran-3-one |
Wiley ID |
772521 |