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2,3,3-TRIMETHYL-4-[3'-HYDROXYMETHYL-(PENT-2'-EN-1'-YL)]-CYCLOPENTENE;(BACDANOL)
SpectraBase Compound ID AIOyeXyrQkU
InChI InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+
InChIKey KHQDWCKZXLWDNM-KPKJPENVSA-N
Mol Weight 208.34 g/mol
Molecular Formula C14H24O
Exact Mass 208.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HnYfrOKMD2
Name (2E)-2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
CAS Registry Number 28219-61-6
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 208.182715392 u
Formula C14H24O
InChI InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+
InChIKey KHQDWCKZXLWDNM-KPKJPENVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.345 g/mol
Nominal Mass 208 u
Quality 979
Retention Index 1499
SMILES OC\C(=C\CC1C(C(=CC1)C)(C)C)CC
SPLASH splash10-0a4i-9800000000-ac3813fd6e108b5e3e2f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Buten-1-ol,2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)
Technique GC/MS
Wiley ID DD2024_029683