| SpectraBase Spectrum ID |
I3PYBLsF5hV |
| Name |
2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-1-methyl-3-(2-nitro-1-phenylethyl)-, [3S-[3R*(S*)]]- |
| Alternate Name(s) |
(-)-(3S,1'R)-3,4-dihydro-6-methoxy-1-methyl-3-(2-nitro-1-phenylethyl)-2(1H)-naphthalenone
(3S)-6-methoxy-1-methyl-3-[(1R)-2-nitro-1-phenylethyl]-3,4-dihydro-2(1H)-naphthalenone |
| CAS Registry Number |
87732-65-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C20H21NO4/c1-13-17-9-8-16(25-2)10-15(17)11-18(20(13)22)19(12-21(23)24)14-6-4-3-5-7-14/h3-10,13,18-19H,11-12H2,1-2H3/t13?,18-,19-/m0/s1 |
| InChIKey |
QRBXSBQTGLYWCB-XQGIULPISA-N |
| Molecular Weight |
339.391 g/mol |
| SMILES |
[C@]1(C(C(C)c2c(C1)cc(cc2)OC)=O)([C@@](CN(=O)=O)(c1ccccc1)[H])[H] |
| SPLASH |
splash10-0006-9000000000-c8ef971f9703f15447d3 |
| Source of Spectrum |
K-116-3096-0 |
| Wiley ID |
1334564 |
![2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-1-methyl-3-(2-nitro-1-phenylethyl)-, [3S-[3R*(S*)]]-](/api/spectrum/I3PYBLsF5hV/structure.png?h=300&w=458 "2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-1-methyl-3-(2-nitro-1-phenylethyl)-, [3S-[3R*(S*)]]-")
