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Thiocyanic acid, 4-oxotricyclo[3.3.1.1(3,7)]dec-2-yl ester, (1.alpha.,2.beta.,3.beta.,5.alpha.,7.beta.)-
SpectraBase Compound ID FqhwllyYbEU
InChI InChI=1S/C11H13NOS/c12-5-14-11-8-2-6-1-7(4-8)10(13)9(11)3-6/h6-9,11H,1-4H2/t6-,7+,8-,9+,11?/m1/s1
InChIKey HHJVJGNXGYEEFF-BUFOXMIFSA-N
Mol Weight 207.29 g/mol
Molecular Formula C11H13NOS
Exact Mass 207.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItHVVRIdd6r
Name Thiocyanic acid, 4-oxotricyclo[3.3.1.1(3,7)]dec-2-yl ester, (1.alpha.,2.beta.,3.beta.,5.alpha.,7.beta.)-
CAS Registry Number 56781-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NOS
InChI InChI=1S/C11H13NOS/c12-5-14-11-8-2-6-1-7(4-8)10(13)9(11)3-6/h6-9,11H,1-4H2/t6-,7+,8-,9+,11?/m1/s1
InChIKey HHJVJGNXGYEEFF-BUFOXMIFSA-N
Molecular Weight 207.291 g/mol
SMILES C(SC1[C@@]2(C(=O)[C@@]3(C[C@]1(C[C@](C2)(C3)[H])[H])[H])[H])#N
SPLASH splash10-00fu-9600000000-dae115381ffbfa32a65a
Source of Spectrum EP-6347-0-0
Synonyms Thiocyanic acid, 4-oxotricyclo[3.3.1.1(3,7)]dec-2-yl ester, (1.alpha.,2.alpha.,3.beta.,5.alpha.,7.beta.)- 4-Oxo-2-adamantyl thiocyanate (4-oxidanylidene-2-adamantyl) thiocyanate thiocyanic acid (4-keto-2-adamantyl) ester thiocyanic acid (4-oxo-2-adamantyl) ester
Wiley ID 1205635