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2-Adamantanone, 4-chloro-, (1S,4R)-
SpectraBase Compound ID F8Q7RgX2Z02
InChI InChI=1S/C10H13ClO/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9H,1-4H2/t5-,6+,7-,8+,9-/m0/s1
InChIKey VWRCUEUBWJRNRQ-ULHDWMFZSA-N
Mol Weight 184.67 g/mol
Molecular Formula C10H13ClO
Exact Mass 184.065493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gdrhQ46dal
Name 2-Adamantanone, 4-chloro-, (1S,4R)-
Alternate Name(s) 2-Adamantanone, 4-chloro-, syn- 4-Chloroadamantan-2-one 4-Chloro-2-adamantanone 2-Adamantanone, 4-chloro-, (1S,4S)- 4-Chloranyladamantan-2-one Tricyclo[3.3.1.1(3,7)]decanone, 4-chloro-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.)]- Tricyclo[3.3.1.1(3,7)]decanone, 4-chloro-, [1S-(1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.)]-
CAS Registry Number 19543-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClO
InChI InChI=1S/C10H13ClO/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9H,1-4H2/t5-,6+,7-,8+,9-/m0/s1
InChIKey VWRCUEUBWJRNRQ-ULHDWMFZSA-N
Molecular Weight 184.666 g/mol
SMILES [C@@]1(Cl)([C@@]2(C[C@]3(C[C@](C(=O)[C@@]1(C3)[H])(C2)[H])[H])[H])[H]
SPLASH splash10-004j-9600000000-31bad2aaf9a5f4f7ea87
Source of Spectrum O-7-487-2
Wiley ID 1180485