| SpectraBase Spectrum ID |
JIF3gAQ7xvH |
| Name |
(6S)-2-Bis(ethoxycarbonyl)methylidene-6-(phenylsulfanylmethyl)piperidine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25NO4S |
| InChI |
InChI=1S/C19H25NO4S/c1-3-23-18(21)17(19(22)24-4-2)16-12-8-9-14(20-16)13-25-15-10-6-5-7-11-15/h5-7,10-11,14,20H,3-4,8-9,12-13H2,1-2H3/t14-/m0/s1 |
| InChIKey |
ZRQCGPZDYNXCBA-AWEZNQCLSA-N |
| Molecular Weight |
363.472 g/mol |
| SMILES |
N1[C@@](CCCC1=C(C(=O)OCC)C(=O)OCC)(CSc1ccccc1)[H] |
| SPLASH |
splash10-0006-0904000000-1e20a65cf86ec88cf2c6 |
| Source of Spectrum |
F-54-6034-12 |
| Synonyms |
diethyl 2-{(6S)-6-[(phenylsulfanyl)methyl]piperidinylidene}malonate |
| Wiley ID |
807316 |
