Debug Info

object
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_id
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BcVYrq6Aozz
spectrumID
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BcVYrq6Aozz
cost
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131072
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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(1R,2S,5R)-8-Phenylmenthyl 2(S)-tert-butoxyphenylacetate
SpectraBase Compound ID AbZnUAQK50q
InChI InChI=1S/C28H38O3/c1-20-17-18-23(28(5,6)22-15-11-8-12-16-22)24(19-20)30-26(29)25(31-27(2,3)4)21-13-9-7-10-14-21/h7-16,20,23-25H,17-19H2,1-6H3/t20-,23?,24?,25?/m1/s1
InChIKey YMGBJTYCYQVWLN-QJTFLJHRSA-N
Mol Weight 422.6 g/mol
Molecular Formula C28H38O3
Exact Mass 422.282095 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcVYrq6Aozz
Name (1R,2S,5R)-8-Phenylmenthyl 2(S)-tert-Butoxyphenylacetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O3
InChI InChI=1S/C28H38O3/c1-20-17-18-23(28(5,6)22-15-11-8-12-16-22)24(19-20)30-26(29)25(31-27(2,3)4)21-13-9-7-10-14-21/h7-16,20,23-25H,17-19H2,1-6H3/t20-,23?,24?,25?/m1/s1
InChIKey YMGBJTYCYQVWLN-QJTFLJHRSA-N
Molecular Weight 422.609 g/mol
SMILES C(OC1C(C(c2ccccc2)(C)C)CC[C@](C1)(C)[H])(C(OC(C)(C)C)c1ccccc1)=O
SPLASH splash10-0aor-3940000000-4c93132c1f30a6a48404
Source of Spectrum J-60-4458-9
Synonyms (1R,2S,5R)-8-Phenylmenthyl 2(R)-tert-Butoxyphenylacetate (1R,2S,5R)-8-Phenylmenthyl 2(S)-(tert-Butoxy)-2-(phenyl)acetate
Wiley ID 1378815
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