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N-Carbobenzyloxy-L-tyrosine hydrate

View entire compound with spectra: 1 Raman

N-Carbobenzyloxy-L-tyrosine hydrate
SpectraBase Compound ID K6gG4xlokh5
InChI InChI=1S/C17H17NO5.O/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13;/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21);/t15-;/m0./s1
InChIKey GIYWEBQSCNHCMM-RSAXXLAASA-N
Mol Weight 331.32 g/mol
Molecular Formula C17H17NO6
Exact Mass 331.105587 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1QDd6flHE3S
Name N-Carbobenzyloxy-L-tyrosine hydrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.105587265 u
Formula C17H17NO6
InChI InChI=1S/C17H17NO5.O/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13;/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21);/t15-;/m0./s1
InChIKey GIYWEBQSCNHCMM-RSAXXLAASA-N
Molecular Weight 331.324 g/mol
SMILES [O].C(N[C@](C(=O)O)(CC1=CC=C(C=C1)O)[H])(=O)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.947231