| SpectraBase Spectrum ID |
C96xwxMJ6hI |
| Name |
(3.alpha.,3a.alpha.,7a.beta.)-Hexahydro-4,4,7a-trimethyl-3-(phenylseleno)-2(3H)-benzofuranone |
| CAS Registry Number |
66901-63-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O2Se |
| InChI |
InChI=1S/C17H22O2Se/c1-16(2)10-7-11-17(3)14(16)13(15(18)19-17)20-12-8-5-4-6-9-12/h4-6,8-9,13-14H,7,10-11H2,1-3H3/t13-,14+,17+/m0/s1 |
| InChIKey |
WNCJMSIPEUQBIA-JJRVBVJISA-N |
| Molecular Weight |
337.333 g/mol |
| SMILES |
[C@]12([C@]([C@]([Se]c3ccccc3)(C(O1)=O)[H])(C(C)(C)CCC2)[H])C |
| SPLASH |
splash10-000i-0902000000-c8171e6a6f147cdc700f |
| Source of Spectrum |
J-43-3696-0 |
| Synonyms |
(3S,3aR,7aR)-4,4,7a-trimethyl-3-(phenylselanyl)hexahydro-1-benzofuran-2(3H)-one |
| Wiley ID |
1333575 |
