| SpectraBase Spectrum ID |
50kP0jm6Vhr |
| Name |
2(3H)-Thiophenone, 5-(iodomethyl)dihydro-3-methyl-, trans- |
| CAS Registry Number |
88431-16-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H9IOS |
| InChI |
InChI=1S/C6H9IOS/c1-4-2-5(3-7)9-6(4)8/h4-5H,2-3H2,1H3/t4-,5+/m1/s1 |
| InChIKey |
XCOTVOLYZFQVLY-UHNVWZDZSA-N |
| Molecular Weight |
256.101 g/mol |
| SMILES |
C1(S[C@](CI)(C[C@]1(C)[H])[H])=O |
| SPLASH |
splash10-004i-0900000000-e8dbe237b3058c0f503c |
| Source of Spectrum |
C-106-1083-0 |
| Synonyms |
(3R,5S)-5-(iodanylmethyl)-3-methyl-thiolan-2-one
(3R,5S)-5-(iodomethyl)-3-methyl-2-thiolanone
(3R,5S)-5-(iodomethyl)-3-methyl-tetrahydrothiophen-2-one
(3R,5S)-5-(iodomethyl)-3-methylthiolan-2-one |
| Wiley ID |
1259108 |
