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12-Methyl-13-oxapentacyclo[6.2.1.1(3,6).1(10,12).0(2,7)]tridecane
SpectraBase Compound ID 5dv2gMqco7C
InChI InChI=1S/C13H18O/c1-13-8-2-3-9(13)12-7-4-6(11(8)12)5-10(7)14-13/h6-12H,2-5H2,1H3/t6-,7+,8-,9+,10-,11-,12+,13+/m1/s1
InChIKey TXQXWGZFJVDUME-VEFZCYQJSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgQtz1T0z1U
Name 12-Methyl-13-oxapentacyclo[6.2.1.1(3,6).1(10,12).0(2,7)]tridecane
CAS Registry Number 74772-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-13-8-2-3-9(13)12-7-4-6(11(8)12)5-10(7)14-13/h6-12H,2-5H2,1H3/t6-,7+,8-,9+,10-,11-,12+,13+/m1/s1
InChIKey TXQXWGZFJVDUME-VEFZCYQJSA-N
Molecular Weight 190.286 g/mol
SMILES [C@]12([C@@]3([C@@]4([C@](CC2)([C@]1(O[C@@]1(C[C@]3(C[C@]41[H])[H])[H])C)[H])[H])[H])[H]
SPLASH splash10-00mo-9800000000-ec62b06e5db51764bb16
Wiley ID 1480853