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Bicyclo[2.2.1]heptan-2-ol, 2-(4-chloro-3-pentenyl)-3,3-dimethyl-, (1S-endo)-
SpectraBase Compound ID 4fKKBpyzINM
InChI InChI=1S/C14H23ClO/c1-10(15)5-4-8-14(16)12-7-6-11(9-12)13(14,2)3/h5,11-12,16H,4,6-9H2,1-3H3/b10-5-/t11?,12-,14?/m0/s1
InChIKey MQPLUCOTGJWJMB-NOQZEYHPSA-N
Mol Weight 242.79 g/mol
Molecular Formula C14H23ClO
Exact Mass 242.143743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NMjRY44uiH
Name Bicyclo[2.2.1]heptan-2-ol, 2-(4-chloro-3-pentenyl)-3,3-dimethyl-, (1S-endo)-
Alternate Name(s) (1S)-2-[(3Z)-4-chloro-3-pentenyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol 2-exo(4-chloro-3-pentenyl)-3,3-dimethylbicyclo(2.2.1)heptone-2-endo-ol
CAS Registry Number 66701-33-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23ClO
InChI InChI=1S/C14H23ClO/c1-10(15)5-4-8-14(16)12-7-6-11(9-12)13(14,2)3/h5,11-12,16H,4,6-9H2,1-3H3/b10-5-/t11?,12-,14?/m0/s1
InChIKey MQPLUCOTGJWJMB-NOQZEYHPSA-N
Molecular Weight 242.790 g/mol
SMILES OC1(C(C2C[C@@]1(CC2)[H])(C)C)CC\C=C\(Cl)C
SPLASH splash10-00fr-0090000000-84b90f88773b98e7cba5
Source of Spectrum K-112-419-0
Wiley ID 1245167