| SpectraBase Spectrum ID |
4o91ZgWOIRL |
| Name |
(1S,3S)-5-Iodo-6,8-dimethoxy-1,3-dimethylisochroman |
| Alternate Name(s) |
(1S,3S)-5-iodo-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran
5-Iodo-6,8-dimethoxy-trans-1,3-dimethylisochroman |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17IO3 |
| InChI |
InChI=1S/C13H17IO3/c1-7-5-9-12(8(2)17-7)10(15-3)6-11(16-4)13(9)14/h6-8H,5H2,1-4H3/t7-,8-/m0/s1 |
| InChIKey |
IJQJVUNQYFQOJM-YUMQZZPRSA-N |
| Molecular Weight |
348.180 g/mol |
| SMILES |
c12c(c(I)c(cc2OC)OC)C[C@@](O[C@]1(C)[H])(C)[H] |
| SPLASH |
splash10-001i-0009000000-d0521c65a5974f3b1a59 |
| Source of Spectrum |
KC-0-807-10 |
| Wiley ID |
830175 |
