SpectraBase Spectrum ID |
56sHc3Uo7St |
Name |
2-Bromo-1,1,9-trimethyl-5-methylidenespiro-[5.5]-undec-8-en-3-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
298.093228360 u |
Formula |
C15H23BrO |
InChI |
InChI=1S/C15H23BrO/c1-10-5-7-15(8-6-10)11(2)9-12(17)13(16)14(15,3)4/h5,12-13,17H,2,6-9H2,1,3-4H3/t12-,13-,15?/m1/s1 |
InChIKey |
APALGGYWOOAWLG-HCYNLOQUSA-N |
SMILES |
[C@@]1(Br)(C(C2(C(C[C@]1(O)[H])=C)CC=C(CC2)C)(C)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816085 |