| SpectraBase Spectrum ID |
EAKTsrAK0ij |
| Name |
[(1S,3aR,4S,5R,7aS)-1-ethyl-5-(hydroxymethyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-(1H-pyrrol-2-yl)methanone |
| CAS Registry Number |
95588-45-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H23NO2 |
| InChI |
InChI=1S/C17H23NO2/c1-2-11-5-8-14-13(11)7-6-12(10-19)16(14)17(20)15-4-3-9-18-15/h3-4,6-7,9,11-14,16,18-19H,2,5,8,10H2,1H3/t11-,12-,13+,14+,16+/m0/s1 |
| InChIKey |
GAAMAPKYJJMQST-ZHMBSYLPSA-N |
| Molecular Weight |
273.376 g/mol |
| SMILES |
[nH]1cccc1C([C@@]1([C@](CO)(C=C[C@]2([C@]1(CC[C@@]2(CC)[H])[H])[H])[H])[H])=O |
| SPLASH |
splash10-0006-9040000000-313e589e5d5076ff8f01 |
| Source of Spectrum |
J-50-1453-30 |
| Synonyms |
[(1S,3aR,4S,5R,7aS)-1-ethyl-5-methylol-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-(1H-pyrrol-2-yl)methanone |
| Wiley ID |
1277401 |
![[(1S,3aR,4S,5R,7aS)-1-ethyl-5-(hydroxymethyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-(1H-pyrrol-2-yl)methanone](/api/spectrum/EAKTsrAK0ij/structure.png?h=300&w=458 "[(1S,3aR,4S,5R,7aS)-1-ethyl-5-(hydroxymethyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-(1H-pyrrol-2-yl)methanone")
