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(1R*,2S*,3R*,6S*,7S*)-3,1-(Epoxymethano)tricyclo[5.4.0.0(2,6)]undecane-7-isocyanate
SpectraBase Compound ID 3XMAD4N61AA
InChI InChI=1S/C13H17NO2/c15-8-14-13-6-2-1-5-12(13)7-16-10-4-3-9(13)11(10)12/h9-11H,1-7H2/t9-,10+,11+,12+,13-/m0/s1
InChIKey VHEFGHZMANOYRO-CLPYTZEMSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c1oK0HMiy6
Name (1R*,2S*,3R*,6S*,7S*)-3,1-(Epoxymethano)tricyclo[5.4.0.0(2,6)]undecane-7-isocyanate
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c15-8-14-13-6-2-1-5-12(13)7-16-10-4-3-9(13)11(10)12/h9-11H,1-7H2/t9-,10+,11+,12+,13-/m0/s1
InChIKey VHEFGHZMANOYRO-CLPYTZEMSA-N
Molecular Weight 219.284 g/mol
SMILES [C@]123[C@](N=C=O)(CCCC3)[C@@]3([C@@]1([C@](CC3)([H])OC2)[H])[H]
SPLASH splash10-0udi-0900000000-b317edfb2876338c3883
Source of Spectrum F-53-12331-23
Wiley ID 803611