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1(2H)-Pentalenone, 2-(3-chloro-2-butenyl)hexahydro-5,5-dimethyl-
SpectraBase Compound ID 4hSqtSszBBU
InChI InChI=1S/C14H21ClO/c1-9(15)4-5-10-6-11-7-14(2,3)8-12(11)13(10)16/h4,10-12H,5-8H2,1-3H3/b9-4+
InChIKey QJWFBYBOBFTIMO-RUDMXATFSA-N
Mol Weight 240.77 g/mol
Molecular Formula C14H21ClO
Exact Mass 240.128093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChfsniV5cCh
Name 1(2H)-Pentalenone, 2-(3-chloro-2-butenyl)hexahydro-5,5-dimethyl-
CAS Registry Number 129444-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21ClO
InChI InChI=1S/C14H21ClO/c1-9(15)4-5-10-6-11-7-14(2,3)8-12(11)13(10)16/h4,10-12H,5-8H2,1-3H3/b9-4+
InChIKey QJWFBYBOBFTIMO-RUDMXATFSA-N
Molecular Weight 240.774 g/mol
SMILES C12C(C(C\C=C/(Cl)C)CC2CC(C1)(C)C)=O
SPLASH splash10-0a59-9020000000-6778cfb53f1fa2f1baec
Source of Spectrum F-46-1865-12
Synonyms 2-[(2E)-3-chloro-2-butenyl]-5,5-dimethylhexahydro-1(2H)-pentalenone 3-(3-Chloro-2-butenyl)-7,7-dimethylbicyclo[3.3.0]octan-2-one
Wiley ID 1243088