| SpectraBase Spectrum ID |
3h1XLZWeixF |
| Name |
Axinisothiocyanate J |
| Alternate Name(s) |
(2R,4aR,5S,8S)-5-isothiocyanato-2,5-dimethyl-8-propan-2-yl-3,4,4a,6,7,8-hexahydronaphthalen-2-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25NOS |
| InChI |
InChI=1S/C16H25NOS/c1-11(2)12-5-8-16(4,17-10-19)14-6-7-15(3,18)9-13(12)14/h9,11-12,14,18H,5-8H2,1-4H3/t12-,14+,15+,16-/m0/s1 |
| InChIKey |
RDQPBBPUCUTPAG-XZDPQHSOSA-N |
| Molecular Weight |
279.442 g/mol |
| SMILES |
O[C@]1(C=C2[C@]([C@](N=C=S)(C)CC[C@]2(C(C)C)[H])(CC1)[H])C |
| SPLASH |
splash10-0a4i-9340000000-7c93fa6ce4ce36944a6f |
| Source of Spectrum |
G4-71-613-10 |
| Wiley ID |
1694939 |
