| SpectraBase Spectrum ID |
1i3AvquybiB |
| Name |
1-Ethoxy-3-(2'-pyridylthio)-4,5,6,7,8-pentahydro-3aH-azulene |
| Alternate Name(s) |
(3aR)-3-(2-pyridinylsulfanyl)-3a,4,5,6,7,8-hexahydro-1-azulenyl ethyl ether
(3aR*)-1-Ethoxy-3-(2-pyridylthio)-4,5,6,7,8-pentahydro-3aH-azulene
2-{[(8aR)-3-ethoxy-4,5,6,7,8,8a-hexahydro-1-azulenyl]sulfanyl}pyridine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NOS |
| InChI |
InChI=1S/C17H21NOS/c1-2-19-15-12-16(20-17-10-6-7-11-18-17)14-9-5-3-4-8-13(14)15/h6-7,10-12,14H,2-5,8-9H2,1H3/t14-/m1/s1 |
| InChIKey |
WPHDKLDDZSKMQF-CQSZACIVSA-N |
| Molecular Weight |
287.421 g/mol |
| SMILES |
C1(=CC(OCC)=C2[C@]1(CCCCC2)[H])Sc1ncccc1 |
| SPLASH |
splash10-0a4i-0090000000-f3f6d079f9c316b94971 |
| Source of Spectrum |
K1-2002-365-5 |
| Wiley ID |
1521908 |
