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CIS-TRANS-NEPETALACTONE
SpectraBase Compound ID 93OVIa4AoE8
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m1/s1
InChIKey ZDKZHVNKFOXMND-YEPSODPASA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79fusaMKbEz
Name Nepetalactone<4a-alpha,7-alpha,7a-alpha->
CAS Registry Number 21651-62-7
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 166.099379689 u
Formula C10H14O2
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/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m1/s1
InChIKey ZDKZHVNKFOXMND-YEPSODPASA-N
Molecular Weight 166.220 g/mol
Nominal Mass 166 u
Number of Peaks 112
SMILES C1([C@@]2([C@](C(=CO1)C)(CC[C@]2(C)[H])[H])[H])=O
SPLASH splash10-0159-9200000000-b9aff9b56e98181e1962
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001005