| SpectraBase Spectrum ID |
KNrHRUxPvEb |
| Name |
1,4-Dioxaspiro[4.5]decan-7-ol, 9-(5-bromobenzodioxol-6-yl)-8-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.011014852 u |
| Formula |
C15H16BrNO7 |
| InChI |
InChI=1S/C15H16BrNO7/c16-10-4-13-12(21-7-22-13)3-8(10)9-5-15(23-1-2-24-15)6-11(18)14(9)17(19)20/h3-4,9,11,14,18H,1-2,5-7H2 |
| InChIKey |
FIVMMWRNQFDKQT-UHFFFAOYSA-N |
| Molecular Weight |
402.197 g/mol |
| SMILES |
C1(Br)=CC=2OCOC2C=C1C1C(N(=O)=O)C(O)CC2(C1)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901114 |
![1,4-Dioxaspiro[4.5]decan-7-ol, 9-(5-bromobenzodioxol-6-yl)-8-nitro-](/api/spectrum/KNrHRUxPvEb/structure.png?h=300&w=458 "1,4-Dioxaspiro[4.5]decan-7-ol, 9-(5-bromobenzodioxol-6-yl)-8-nitro-")
