| SpectraBase Spectrum ID |
FpkGpK1JnUk |
| Name |
rel-(3aR,8aS,E)-2-(Iodo(3-methoxyphenyl)methylene)-3a-methyloctahydroazulen-4(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.074274979 u |
| Formula |
C19H23IO2 |
| InChI |
InChI=1S/C19H23IO2/c1-19-12-14(10-15(19)7-3-4-9-17(19)21)18(20)13-6-5-8-16(11-13)22-2/h5-6,8,11,15H,3-4,7,9-10,12H2,1-2H3/b18-14+/t15-,19+/m0/s1 |
| InChIKey |
NJCSTCURZKBHNK-QPNWIUCWSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302751p |
| Molecular Weight |
410.295 g/mol |
| Quality |
64 |
| Reported Formula |
C19H23O2I |
| SMILES |
C1(\C(I)=C\2C[C@]3([C@@](C2)(C(CCCC3)=O)C)[H])=CC(=CC=C1)OC |
| SPLASH |
splash10-0ufr-0829100000-878171a61877b401327e |
| Source of Spectrum |
JOC-78-2782-6c (DOI: 10.1021/jo302751p) |
| Thin-Layer Chromatography |
0.12 (pentanes/Et2O, 9:1) |
| Wiley ID |
1912396 |
