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SXPTWBDKLVMRLI-MIJXAVMKSA-N
SpectraBase Compound ID 5m8Y6kyLswR
InChI InChI=1S/C14H22O/c1-13(2)7-4-8-14(3)10-6-5-9(11(10)13)12(14)15/h9-11H,4-8H2,1-3H3/t9-,10+,11-,14-/m0/s1
InChIKey SXPTWBDKLVMRLI-MIJXAVMKSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmvlwtMrnJq
Name Longicamphenylone
CAS Registry Number 58560-59-1
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 206.167065327 u
Formula C14H22O
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/C14H22O/c1-13(2)7-4-8-14(3)10-6-5-9(11(10)13)12(14)15/h9-11H,4-8H2,1-3H3/t9-,10+,11-,14-/m0/s1
InChIKey SXPTWBDKLVMRLI-MIJXAVMKSA-N
Molecular Weight 206.329 g/mol
Nominal Mass 206 u
Number of Peaks 134
SMILES [C@@]12([C@]3(CC[C@@]2(C([C@]3(CCCC1(C)C)C)=O)[H])[H])[H]
SPLASH splash10-052f-9500000000-be5a3645b7a944d77b46
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000859