1-[(3S,3aR,6S,6aR)-6-[5-[4-(1,2,4-Triazol-1-yl)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-naphthalen-1-ylurea

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Systematic / IUPAC Name:

ID: Reference13366

Other Names: NAT6-298540

Formula: C26H23N9O4

Spectral Data

1-[(3S,3aR,6S,6aR)-6-[5-[4-(1,2,4-Triazol-1-yl)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-naphthalen-1-ylurea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2568
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/14/2025 9:35:04 AM
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Identificators

InChI InChI=1S/C26H23N9O4/c36-25(29-20-7-3-5-16-4-1-2-6-19(16)20)30-21-12-37-24-22(13-38-23(21)24)35-26(31-32-33-35)39-18-10-8-17(9-11-18)34-15-27-14-28-34/h1-11,14-15,21-24H,12-13H2,(H2,29,30,36)/t21-,22-,23+,24+/m0/s1
InChI Key PDHMQOSDTQTUSA-CJRSTVEYSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)OC4=CC=C(C=C4)N5C=NC=N5)NC(=O)NC6=CC=CC7=CC=CC=C76
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Other Names NAT6-298540

In Other Databases

PubChem 11886264