| SpectraBase Spectrum ID |
E77KjQIITcB |
| Name |
Spiro[2H-indene-2,3'(2'H)-isoquinolin]-1'(4'H)-one-1-d, 1,3-dihydro-1,4'-dihydroxy-2'-methyl-, [3'S-[3'.alpha.(S*),4'.beta.]]- |
| Alternate Name(s) |
Spiro[1-deuterio-1-hydroxyindan-2,3'-(N-methyl-4'-hydroxy-1',2',3',4'-tetrahydroisoquinolin-1'-one)] |
| CAS Registry Number |
118245-44-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16DNO3 |
| InChI |
InChI=1S/C18H17NO3/c1-19-17(22)14-9-5-4-8-13(14)16(21)18(19)10-11-6-2-3-7-12(11)15(18)20/h2-9,15-16,20-21H,10H2,1H3/t15?,16-,18-/m0/s1/i15D |
| InChIKey |
HUTGCPRAUHIOBF-VABKZHITSA-N |
| Molecular Weight |
296.344 g/mol |
| SMILES |
O[C@]1(c2c(C(N([C@@]11C(c3ccccc3C1)(O)[2D])C)=O)cccc2)[H] |
| SPLASH |
splash10-0a4j-0960000000-2bb54a9715c818fa9819 |
| Source of Spectrum |
J-54-427-14 |
| Wiley ID |
1298353 |
![Spiro[2H-indene-2,3'(2'H)-isoquinolin]-1'(4'H)-one-1-d, 1,3-dihydro-1,4'-dihydroxy-2'-methyl-, [3'S-[3'.alpha.(S*),4'.beta.]]-](/api/spectrum/E77KjQIITcB/structure.png?h=300&w=458 "Spiro[2H-indene-2,3'(2'H)-isoquinolin]-1'(4'H)-one-1-d, 1,3-dihydro-1,4'-dihydroxy-2'-methyl-, [3'S-[3'.alpha.(S*),4'.beta.]]-")
