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cis-Thio rose oxide
SpectraBase Compound ID 1aeXKMVt9dU
InChI InChI=1S/C10H18S/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m0/s1
InChIKey UJCAHBQPMRJQQL-UWVGGRQHSA-N
Mol Weight 170.31 g/mol
Molecular Formula C10H18S
Exact Mass 170.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOMYbrlvBsC
Name Thio rose oxide
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 170.112921754 u
Formula C10H18S
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/C10H18S/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m0/s1
InChIKey UJCAHBQPMRJQQL-UWVGGRQHSA-N
Molecular Weight 170.314 g/mol
Nominal Mass 170 u
Number of Peaks 102
SMILES C1[C@](C=C(C)C)(SCC[C@@]1(C)[H])[H]
SPLASH splash10-0pi3-9500000000-d505bcddc9a00322790d
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001307