| SpectraBase Spectrum ID |
1aS6fi4Jaei |
| Name |
1,3,9,11,2,10-Parazabol, 2,2,10,10-tetraethyl- |
| CAS Registry Number |
149-87-1 |
| Comments |
Note: The molecular formula of the structure shown is C22H30B2N4 - which differs from the formula reported for the mass spectrum (C5H7NO3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C5H7NO3 |
| InChI |
InChI=1S/C22H30B2N4/c1-5-23(6-2)25-17-19-13-10-12-16-22(19)28(25)24(7-3,8-4)26-18-20-14-9-11-15-21(20)27(23)26/h9-18H,5-8H2,1-4H3 |
| InChIKey |
UPXWSUYNOVZXPM-UHFFFAOYSA-N |
| Molecular Weight |
372.130 g/mol |
| SMILES |
C1=CC=2C(=[N]3[B](=[N]4[N]([B](=[N]3C2)(CC)CC)=C2C(=C4)C=CC=C2)(CC)CC)C=C1 |
| SPLASH |
splash10-001i-9000000000-70315ba66c2d5cdb4227 |
| Source of Spectrum |
NP-0-7352-0 |
| Wiley ID |
1111186 |
