| SpectraBase Spectrum ID |
H8Pcu7nqMS8 |
| Name |
methyl 2-[(3aR,6R,8aS)-6-isobutyl-8-oxo-1,2,3,3a,6,8a-hexahydropyrrolo[2,3-c]azepin-7-yl]acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24N2O3 |
| InChI |
InChI=1S/C15H24N2O3/c1-10(2)8-12-5-4-11-6-7-16-14(11)15(19)17(12)9-13(18)20-3/h4-5,10-12,14,16H,6-9H2,1-3H3/t11-,12-,14-/m0/s1 |
| InChIKey |
KCQUGXKVGPVKPA-OBJOEFQTSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
280.368 g/mol |
| Optical Rotation |
[a].lambda.20 = (0.50 g/100 ml in CHCls): [a]365 = -278.6, [a]436 = -175.6, [a]546 = -103.5, [a]579 = - 90.8, [a]589 = -88.1 |
| SMILES |
N1CC[C@]2([C@]1(C(N([C@@](C=C2)(CC(C)C)[H])CC(OC)=O)=O)[H])[H] |
| SPLASH |
splash10-0a4i-3910000000-ac431a96de0237d22c46 |
| Source of Spectrum |
WO2019162524A1 |
| Thin-Layer Chromatography |
Rf = 0.13 (SiO2, CH2Cl2/MeOH, 20:1) |
| Wiley ID |
1875035 |
![methyl 2-[(3aR,6R,8aS)-6-isobutyl-8-oxo-1,2,3,3a,6,8a-hexahydropyrrolo[2,3-c]azepin-7-yl]acetate](/api/spectrum/H8Pcu7nqMS8/structure.png?h=300&w=458 "methyl 2-[(3aR,6R,8aS)-6-isobutyl-8-oxo-1,2,3,3a,6,8a-hexahydropyrrolo[2,3-c]azepin-7-yl]acetate")
