| SpectraBase Spectrum ID |
4HrtMClnaF7 |
| Name |
D-Manno-heptitol, 2,5-anhydro-1-deoxy-3,4:6,7-bis-o-(1-methylethylidene)-1-nitro-2-C-(N itromethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.132530287 u |
| Formula |
C14H22N2O9 |
| InChI |
InChI=1S/C14H22N2O9/c1-12(2)21-5-8(22-12)9-10-11(25-13(3,4)23-10)14(24-9,6-15(17)18)7-16(19)20/h8-11H,5-7H2,1-4H3 |
| InChIKey |
LULSDXSQVYEVHU-UHFFFAOYSA-N |
| Molecular Weight |
362.335 g/mol |
| SMILES |
C1(C2C(OC(O2)(C)C)C(O1)C1OC(C)(C)OC1)(CN(=O)=O)CN(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934418 |
