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CAS Number: 40430-66-8
1-ethynyladamantane

Structure

1-ethynyladamantane
Name: 1-ethynyladamantane
Synonyms:
General Information
Product Number: 40430668

CAS Registry Number 40430-66-8
Name:
Tricyclo[3.3.1.13,​7]​decane, 1-​ethynyl-
Adamantane, 1-ethynyl- (7CI)
1-Adamantylacetylene
1-Ethynyladamantane

 

Chemical Formula: C12H16
Exact Mass: 160.13
Molecular Weight: 160.26
m/z: 160.13 (100.0%), 161.13 (13.2%)

 

InChI:InChI=1S/C12H16/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h1,9-11H,3-8H2

InChI Key:KJNCIYYNPLWHDW-UHFFFAOYSA-N

Canonical SMILES:C#CC12CC3CC(C1)CC(C3)C2

 

Thermal Properties Value Condition Note
Melting Point 82 °C Solv: methanol (67-56-1) (5)IC
Melting Point See full text   (6)CAS

Specification

98%

References
  1. (5) Dehmlow, Eckehard V.; Tetrahedron 1989, V45(10), P2925-36 CAPLUS
  2. (6) Stetter, Hermann; Chemische Berichte 1962, V95, P1039-42 CAPLUS
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