| SpectraBase Spectrum ID |
8mP01ybAuNr |
| Name |
(2S,3S,4S)-2-(Hydroxymethyl)-4-isopropyl-3-(methoxycarbonylmethyl)-1-(toulene-4-sulfonyl)pyrrolidine |
| Alternate Name(s) |
(2S,3S,4S)-2-(Hydroxymethyl)-4-isopropenyl-3-(methoxycarbonylmethyl)-1-(toulene-4-sulfonyl)pyrrolidine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25NO5S |
| InChI |
InChI=1S/C18H25NO5S/c1-12(2)16-10-19(17(11-20)15(16)9-18(21)24-4)25(22,23)14-7-5-13(3)6-8-14/h5-8,15-17,20H,1,9-11H2,2-4H3/t15-,16-,17+/m0/s1 |
| InChIKey |
XKLJAJNWWCDDNQ-YESZJQIVSA-N |
| Molecular Weight |
367.460 g/mol |
| SMILES |
OC[C@]1(N(S(c2ccc(cc2)C)(=O)=O)C[C@@](C(=C)C)([C@@]1(CC(=O)OC)[H])[H])[H] |
| SPLASH |
splash10-000i-0009000000-346da8e8e84c9592bdb6 |
| Source of Spectrum |
J-59-6972-25 |
| Wiley ID |
1352488 |
