SpectraBase Spectrum ID |
HkQF7Ynberg |
Name |
Naphtho[1,8-bc]pyran, 2,3-dihydro-3,6,9-trimethyl-7-nitro-, (.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
257.105193344 u |
Formula |
C15H15NO3 |
InChI |
InChI=1S/C15H15NO3/c1-8-4-5-11-10(3)7-19-15-9(2)6-12(16(17)18)13(8)14(11)15/h4-6,10H,7H2,1-3H3 |
InChIKey |
XBLFQSIUVUYDSM-UHFFFAOYSA-N |
Molecular Weight |
257.289 g/mol |
SMILES |
C=1(N(=O)=O)C2=C3C(C(C)COC3=C(C1)C)=CC=C2C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870925 |