SpectraBase Spectrum ID |
2S8yq5usf1S |
Name |
Cumenol |
CAS Registry Number |
618-45-1 |
Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
136.088815005 u |
Formula |
C9H12O |
GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
InChI |
InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3 |
InChIKey |
VLJSLTNSFSOYQR-UHFFFAOYSA-N |
Molecular Weight |
136.194 g/mol |
Nominal Mass |
136 u |
Number of Peaks |
77 |
SMILES |
Oc1cc(C(C)C)ccc1 |
SPLASH |
splash10-00di-9800000000-856e9e4f26a38f561854 |
Source |
ex ALDRICH |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA000400 |