| SpectraBase Spectrum ID |
6MR3j4OPP8N |
| Name |
(+/-)-5-methyl-1.alpha.-(phenylmethoxy)-4-nitro-2,3,3a.alpha.,4.alpha.,5.alpha.,7a.alpha.-hexahydro-1H-indene |
| CAS Registry Number |
96556-66-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO3 |
| InChI |
InChI=1S/C17H21NO3/c1-12-7-8-14-15(17(12)18(19)20)9-10-16(14)21-11-13-5-3-2-4-6-13/h2-8,12,14-17H,9-11H2,1H3/t12-,14-,15-,16-,17-/m0/s1 |
| InChIKey |
RYEZZORAWGUITR-SRQBIAJPSA-N |
| Molecular Weight |
287.359 g/mol |
| SMILES |
[C@]1(N(=O)=O)([C@@]2([C@]([C@@](OCc3ccccc3)(CC2)[H])([H])C=C[C@@]1(C)[H])[H])[H] |
| SPLASH |
splash10-0006-9000000000-b29b194ba2906e8d2feb |
| Source of Spectrum |
J-50-2631-24 |
| Synonyms |
(1S,3aS,4S,5S,7aS)-1-(benzyloxy)-5-methyl-4-nitro-2,3,3a,4,5,7a-hexahydro-1H-indene
(1S,3aS,4S,5S,7aS)-5-methyl-4-nitro-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl benzyl ether |
| Wiley ID |
1290916 |
