SpectraBase Spectrum ID |
BfyVFzSEzYh |
Name |
Mint sulfide |
CAS Registry Number |
72445-42-2 |
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 |
236.159871947 u |
Formula |
C15H24S |
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/C15H24S/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1 |
InChIKey |
HVLGGQYBXOJMLO-QRTUWBSPSA-N |
Molecular Weight |
236.417 g/mol |
Nominal Mass |
236 u |
Number of Peaks |
111 |
SMILES |
[C@@]1(CC[C@@]2([C@]1([C@@]1([H])S[C@@]2(CCC1=C)[H])[H])C)(C(C)C)[H] |
SPLASH |
splash10-024l-9800000000-c390f76f002dfe74251e |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA000967 |