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1-tert-Butyl-3-(3-methoxyphenyl)-bicyclo[1.1.1]pentan
SpectraBase Compound ID tSQ71misEz
InChI InChI=1S/C16H22O/c1-14(2,3)16-9-15(10-16,11-16)12-6-5-7-13(8-12)17-4/h5-8H,9-11H2,1-4H3
InChIKey BXXSGWWNGQIJGI-UHFFFAOYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEco1eajdJH
Name 1-tert-Butyl-3-(3-methoxyphenyl)-bicyclo[1.1.1]pentan
CAS Registry Number 245508-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-14(2,3)16-9-15(10-16,11-16)12-6-5-7-13(8-12)17-4/h5-8H,9-11H2,1-4H3
InChIKey BXXSGWWNGQIJGI-UHFFFAOYSA-N
Molecular Weight 230.351 g/mol
SMILES C12(CC(C2)(C1)c1cc(ccc1)OC)C(C)(C)C
SPLASH splash10-05i0-9800000000-643273a14e0194763db2
Source of Spectrum U1-1999-2082-4
Synonyms 1-tert-Butyl-3-(3-methoxyphenyl)bicyclo[1.1.1]pentane 3-tert-Butyl-1-(3-methoxyphenyl)bicyclo[1.1.1]pentane
Wiley ID 814944