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4-Acetyl-4-azahomoadamantane-3-carboxylic acid
SpectraBase Compound ID IzllveuLejh
InChI InChI=1S/C13H19NO3/c1-8(15)14-7-11-3-9-2-10(4-11)6-13(14,5-9)12(16)17/h9-11H,2-7H2,1H3,(H,16,17)/t9-,10+,11-,13+
InChIKey QKRJQMCOCDNTHA-UPFUWZEBSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6siR0iX36eV
Name 4-Acetyl-4-azahomoadamantane-3-carboxylic acid
Alternate Name(s) 4-Acetyl-4-azatricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid
CAS Registry Number 78823-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-8(15)14-7-11-3-9-2-10(4-11)6-13(14,5-9)12(16)17/h9-11H,2-7H2,1H3,(H,16,17)/t9-,10+,11-,13+
InChIKey QKRJQMCOCDNTHA-UPFUWZEBSA-N
Molecular Weight 237.299 g/mol
SMILES OC([C@]12N(C(=O)C)C[C@]3(C[C@](C2)(C[C@](C1)(C3)[H])[H])[H])=O
SPLASH splash10-0f6w-1920000000-35ffc50cbf61d1730b22
Source of Spectrum J-46-4477-0
Wiley ID 1239538