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7,9-ditert-butyl-3-isopropylidene-1-benzoxepine
SpectraBase Compound ID ErYzOFtrjl4
InChI InChI=1S/C21H30O/c1-14(2)16-10-9-15-11-17(20(3,4)5)12-18(21(6,7)8)19(15)22-13-16/h9-12H,13H2,1-8H3
InChIKey MQQMWFNMVSUZPG-UHFFFAOYSA-N
Mol Weight 298.47 g/mol
Molecular Formula C21H30O
Exact Mass 298.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bogv4fxHsJ2
Name 7,9-ditert-butyl-3-isopropylidene-1-benzoxepine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O
InChI InChI=1S/C21H30O/c1-14(2)16-10-9-15-11-17(20(3,4)5)12-18(21(6,7)8)19(15)22-13-16/h9-12H,13H2,1-8H3
InChIKey MQQMWFNMVSUZPG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700600
Reported Formula C21H30O
SMILES C1(=CC2=C(C(=C1)C(C)(C)C)OCC(C=C2)=C(C)C)C(C)(C)C
SPLASH splash10-0002-0090000000-f4b7632af90c5ef2748f
Source of Spectrum QE-23-SM25-6a (DOI: 10.1002/chem.201700600)
Wiley ID 1905522