| SpectraBase Spectrum ID |
ERooPMMu5Gy |
| Name |
2H-Pyrrole-5-acetonitrile, 3,4-dihydro-2-(1-hydroxy-1-methylethyl)-.alpha.-[5-(1-hydroxy-1-methylethyl)-2-pyrrolidinylidene]-, [S-[R*,R*-(E)]]- |
| CAS Registry Number |
105251-53-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25N3O2 |
| InChI |
InChI=1S/C16H25N3O2/c1-15(2,20)13-7-5-11(18-13)10(9-17)12-6-8-14(19-12)16(3,4)21/h13-14,18,20-21H,5-8H2,1-4H3/b11-10+/t13-,14-/m0/s1 |
| InChIKey |
UPNQOVCPPLLYQI-NKVPIJFCSA-N |
| Molecular Weight |
291.395 g/mol |
| SMILES |
N1[C@](C(O)(C)C)(CC\C1=C\(C1=N[C@](C(O)(C)C)(CC1)[H])C#N)[H] |
| SPLASH |
splash10-001i-0090000000-34bb4b5a1b05a33a479b |
| Source of Spectrum |
H-71-1550-0 |
| Synonyms |
(2S)-3,4-dihydro-2-(1-hydroxy-1-methylethyl)-2H-pyrrol-5-yl][(5S)-5-(1-hydroxy-1-methylethyl)pyrrolidin-2-ylidene]acetonitrile
(2Z)-[(2S)-2-(1-hydroxy-1-methylethyl)-3,4-dihydro-2H-pyrrol-5-yl][(5S)-5-(1-hydroxy-1-methylethyl)pyrrolidinylidene]ethanenitrile |
| Wiley ID |
1294604 |
![2H-Pyrrole-5-acetonitrile, 3,4-dihydro-2-(1-hydroxy-1-methylethyl)-.alpha.-[5-(1-hydroxy-1-methylethyl)-2-pyrrolidinylidene]-, [S-[R*,R*-(E)]]-](/api/spectrum/ERooPMMu5Gy/structure.png?h=300&w=458 "2H-Pyrrole-5-acetonitrile, 3,4-dihydro-2-(1-hydroxy-1-methylethyl)-.alpha.-[5-(1-hydroxy-1-methylethyl)-2-pyrrolidinylidene]-, [S-[R*,R*-(E)]]-")
