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1,4-Dihydro-3,6-bis[1,2,3-tri(t-butyl)-2-cyclopropen-1-yl] 1,2,4,5-tetrazine

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1,4-Dihydro-3,6-bis[1,2,3-tri(t-butyl)-2-cyclopropen-1-yl] 1,2,4,5-tetrazine
SpectraBase Compound ID ASKrzAM07ff
InChI InChI=1S/C32H56N4/c1-25(2,3)19-20(26(4,5)6)31(19,29(13,14)15)23-33-35-24(36-34-23)32(30(16,17)18)21(27(7,8)9)22(32)28(10,11)12/h1-18H3,(H,33,34)(H,35,36)
InChIKey QCEQAVBRFCUARL-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C32H56N4
Exact Mass 496.450498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHzpxbvHL4v
Name 1,4-Dihydro-3,6-bis[1,2,3-tri(t-butyl)-2-cyclopropen-1-yl] 1,2,4,5-tetrazine
CAS Registry Number 142634-77-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H56N4
InChI InChI=1S/C32H56N4/c1-25(2,3)19-20(26(4,5)6)31(19,29(13,14)15)23-33-35-24(36-34-23)32(30(16,17)18)21(27(7,8)9)22(32)28(10,11)12/h1-18H3,(H,33,34)(H,35,36)
InChIKey QCEQAVBRFCUARL-UHFFFAOYSA-N
Molecular Weight 496.828 g/mol
SMILES N1C(=NNC(C2(C(C(C)(C)C)=C2C(C)(C)C)C(C)(C)C)=N1)C1(C(C(C)(C)C)=C1C(C)(C)C)C(C)(C)C
SPLASH splash10-0a4i-4090000000-36290c9a3962a0255eb1
Source of Spectrum K-125-2115-0
Synonyms 3,6-bis(1,2,3-tritert-butyl-2-cyclopropen-1-yl)-1,4-dihydro-1,2,4,5-tetraazine
Wiley ID 1398336