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Cyclobutanecarboxylic acid, 1-(phenylseleno)-, 3,5,5-trimethyl-2-cyclohexen-1-yl ester, (.+-.)-
SpectraBase Compound ID orIKlDXBHv
InChI InChI=1S/C20H26O2Se/c1-15-12-16(14-19(2,3)13-15)22-18(21)20(10-7-11-20)23-17-8-5-4-6-9-17/h4-6,8-9,12,16H,7,10-11,13-14H2,1-3H3
InChIKey CIWIIYYHTSFFQA-UHFFFAOYSA-N
Mol Weight 377.4 g/mol
Molecular Formula C20H26O2Se
Exact Mass 378.109802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3klXdUZIDt7
Name Cyclobutanecarboxylic acid, 1-(phenylseleno)-, 3,5,5-trimethyl-2-cyclohexen-1-yl ester, (.+-.)-
CAS Registry Number 72548-21-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2Se
InChI InChI=1S/C20H26O2Se/c1-15-12-16(14-19(2,3)13-15)22-18(21)20(10-7-11-20)23-17-8-5-4-6-9-17/h4-6,8-9,12,16H,7,10-11,13-14H2,1-3H3
InChIKey CIWIIYYHTSFFQA-UHFFFAOYSA-N
Molecular Weight 377.398 g/mol
SMILES C(C1([Se]c2ccccc2)CCC1)(OC1C=C(C)CC(C1)(C)C)=O
SPLASH splash10-00di-2910000000-3db6ce1b74c6d65987ea
Source of Spectrum C-101-7376-0
Synonyms 3,5,5-trimethyl-2-cyclohexen-1-yl 1-(phenylselanyl)cyclobutanecarboxylate Isopropyl 1-cyclobutane-1-phenylselenocarboxylate
Wiley ID 1358705