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(3E)-4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-3-buten-2-one
SpectraBase Compound ID IK0HPbNn97l
InChI InChI=1S/C13H20O2/c1-9(14)5-6-10-12(2,3)8-7-11-13(10,4)15-11/h5-6,10-11H,7-8H2,1-4H3/b6-5+/t10?,11-,13+/m1/s1
InChIKey ODMUHAHUBCUABS-CACJGIRFSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ASOOLVxy9M
Name (3E)-4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-3-buten-2-one
CAS Registry Number 72523-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9(14)5-6-10-12(2,3)8-7-11-13(10,4)15-11/h5-6,10-11H,7-8H2,1-4H3/b6-5+/t10?,11-,13+/m1/s1
InChIKey ODMUHAHUBCUABS-CACJGIRFSA-N
Molecular Weight 208.301 g/mol
SMILES [C@@]12(O[C@@]2(CCC(C1\C=C\C(=O)C)(C)C)[H])C
SPLASH splash10-0a4m-4900000000-8231cdc725e7f3e68fc5
Source of Spectrum H-62-1884-4a
Wiley ID 1207142