SpectraBase Spectrum ID |
C01xyGXRgCG |
Name |
1H-Indeno[1,7A-B]oxete, octahydro-2A,5,5-trimethyl-8-(1-methylethoxy)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.208930140 u |
Formula |
C16H28O2 |
InChI |
InChI=1S/C16H28O2/c1-11(2)18-13-7-8-14(3,4)12-6-9-15(5)16(12,13)10-17-15/h11-13H,6-10H2,1-5H3 |
InChIKey |
NTMHQPLBJGEQGX-UHFFFAOYSA-N |
Molecular Weight |
252.398 g/mol |
SMILES |
C123C(CCC3C(CCC1OC(C)C)(C)C)(C)OC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8797 |