SpectraBase Spectrum ID |
D0OqtRtQfTA |
Name |
Prostantherol, derivative of, me derivative |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.214015521 u |
Formula |
C16H28O |
InChI |
InChI=1S/C16H28O/c1-10-6-7-12(17-5)16(4)9-8-11-14(13(10)16)15(11,2)3/h10-14H,6-9H2,1-5H3/t10-,11?,12-,13+,14?,16+/m1/s1 |
InChIKey |
FUNYUPQYBSNSOO-KVJIAUIESA-N |
Molecular Weight |
236.399 g/mol |
SMILES |
C12C(CC[C@@]3([C@@]2([H])[C@@](CC[C@]3(OC)[H])(C)[H])C)C1(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935899 |