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CAS Number: 38309-60-3
3H-spiro[isobenzofuran-1,4'-piperidine]

Structure

3H-spiro[isobenzofuran-1,4'-piperidine]
Name: 3H-spiro[isobenzofuran-1,4'-piperidine]
Synonyms:
General Information
Product Number: 38309603

CAS Registry Number 38309-60-3
Name:
Spiro[isobenzofuran-​1(3H)​,​4'-​piperidine]
Ring Parent
3H-Spiro[2-benzofuran-1,4'-piperidine]

 

Chemical Formula: C12H15NO
Exact Mass: 189.12
Molecular Weight: 189.25
m/z: 189.12 (100.0%), 190.12 (13.2%), 191.12 (1.1%)

 

InChI: InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2
InChIKey: BYOIMOJOKVUNTP-UHFFFAOYSA-N
Canonical SMILES : C1CNCCC12C3=CC=CC=C3CO2

 

Thermal Properties Value Condition Note
Melting Point 84-86 °C   (2)IC
Melting Point 84-86 °C Solv: hexane (110-54-3) (3)IC

Specification

98%

References
  1. (2) Parham, William E.; Journal of Organic Chemistry 1976, V41(15), P2628-33 CAPLUS
  2. (3) Bauer, Victor J.; Journal of Medicinal Chemistry 1976, V19(11), P1315-24 CAPLUS
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