| SpectraBase Spectrum ID |
6e8sLfXKjYD |
| Name |
(1Z,3R)-3-Hydroxy-4-methyl-1-(4'-methylphenylthio)-1-nitropent-1-ene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17NO3S |
| InChI |
InChI=1S/C13H17NO3S/c1-9(2)12(15)8-13(14(16)17)18-11-6-4-10(3)5-7-11/h4-9,12,15H,1-3H3/b13-8-/t12-/m0/s1 |
| InChIKey |
TXZNBCXCHRVMPV-OEMOTLHWSA-N |
| Molecular Weight |
267.343 g/mol |
| SMILES |
O[C@@](\C=C\(N(=O)=O)Sc1ccc(cc1)C)(C(C)C)[H] |
| SPLASH |
splash10-0006-9000000000-28b007f584dd6a4e28c2 |
| Source of Spectrum |
KC-0-942-10 |
| Synonyms |
(1Z,3R)-4-methyl-1-[(4-methylphenyl)sulfanyl]-1-nitro-1-penten-3-ol |
| Wiley ID |
827648 |
