| SpectraBase Spectrum ID |
FbZve2j0ut5 |
| Name |
2(1H)-Naphthalenone, 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3,4-dihydro-, [S-(R*,S*)]- |
| CAS Registry Number |
87732-60-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H17NO5 |
| InChI |
InChI=1S/C19H17NO5/c21-17-8-13-4-2-1-3-12(13)7-15(17)16(10-20(22)23)14-5-6-18-19(9-14)25-11-24-18/h1-6,9,15-16H,7-8,10-11H2/t15-,16-/m0/s1 |
| InChIKey |
YWSQHCMHTWNUKL-HOTGVXAUSA-N |
| Molecular Weight |
339.347 g/mol |
| SMILES |
[C@]1(C(Cc2c(C1)cccc2)=O)([C@](c1cc2OCOc2cc1)(CN(=O)=O)[H])[H] |
| SPLASH |
splash10-0002-0900000000-5589ea3ab57869636efd |
| Source of Spectrum |
K-116-3094-0 |
| Synonyms |
(-)-(3S,1'R)-3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3,4-dihydro-2(1H)-naphthalenone
(3S)-3-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3,4-dihydro-2(1H)-naphthalenone |
| Wiley ID |
1334488 |
![2(1H)-Naphthalenone, 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3,4-dihydro-, [S-(R*,S*)]-](/api/spectrum/FbZve2j0ut5/structure.png?h=300&w=458 "2(1H)-Naphthalenone, 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3,4-dihydro-, [S-(R*,S*)]-")
