| SpectraBase Spectrum ID |
G1O9KwGIxwI |
| Name |
[(1S,3S)-1-allyl-3-(4-nitrobenzoyl)oxy-hex-5-enyl] 4-nitrobenzoate |
| Appearance |
Off-white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.137615668 u |
| Formula |
C23H22N2O8 |
| InChI |
InChI=1S/C23H22N2O8/c1-3-5-20(32-22(26)16-7-11-18(12-8-16)24(28)29)15-21(6-4-2)33-23(27)17-9-13-19(14-10-17)25(30)31/h3-4,7-14,20-21H,1-2,5-6,15H2/t20-,21-/m0/s1 |
| InChIKey |
VGUWLCCZBOLDRW-SFTDATJTSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501491 |
| Molecular Weight |
454.435 g/mol |
| Quality |
84 |
| Reported Formula |
C23H22N2O8 |
| SMILES |
C1=C(C=CC(=C1)C(O[C@](C[C@](CC=C)(OC(C1=CC=C(C=C1)[N+]([O-])=O)=O)[H])(CC=C)[H])=O)[N+]([O-])=O |
| SPLASH |
splash10-0udi-0900000000-5863aff1c8ba6e4bc473 |
| Source of Spectrum |
QE-21-SM20-10a (DOI: 10.1002/chem.201501491) |
| Wiley ID |
1906718 |
![[(1S,3S)-1-allyl-3-(4-nitrobenzoyl)oxy-hex-5-enyl] 4-nitrobenzoate](/api/spectrum/G1O9KwGIxwI/structure.png?h=300&w=458 "[(1S,3S)-1-allyl-3-(4-nitrobenzoyl)oxy-hex-5-enyl] 4-nitrobenzoate")
