SpectraBase Spectrum ID |
GlMx34D2fPJ |
Name |
Anethole |
CAS Registry Number |
4180-23-8 |
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 |
148.088815005 u |
Formula |
C10H12O |
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/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ |
InChIKey |
RUVINXPYWBROJD-ONEGZZNKSA-N |
Molecular Weight |
148.205 g/mol |
Nominal Mass |
148 u |
Number of Peaks |
99 |
SMILES |
c1cc(ccc1\C=C\C)OC |
SPLASH |
splash10-0002-4900000000-b4f3a0096b1ae2ec093b |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA000072 |