| SpectraBase Spectrum ID |
8ShqTHq69NQ |
| Name |
(3S,5R)-3-(4-Methylphenyl)-5-iodomethyl-.gamma.-butyrolactone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13IO2 |
| InChI |
InChI=1S/C12H13IO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)15-12(11)14/h2-5,10-11H,6-7H2,1H3/t10-,11+/m1/s1 |
| InChIKey |
YMBBSJGPXBCSMY-MNOVXSKESA-N |
| Molecular Weight |
316.138 g/mol |
| SMILES |
C1(O[C@@](CI)(C[C@]1(c1ccc(cc1)C)[H])[H])=O |
| SPLASH |
splash10-0002-0901000000-58571bf0100941de8143 |
| Source of Spectrum |
KD-13-1701-4 |
| Synonyms |
(3S,5R)-5-(iodomethyl)-3-(4-methylphenyl)dihydro-2(3H)-furanone |
| Wiley ID |
1635466 |
